10374713
  -OEChem-05302104292D

 27 26  0     0  0  0  0  0  0999 V2000
    7.7331   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551   -0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751    0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 27  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10374713

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
117

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAUCAAACADBgAQCAAJQAAAIAAEQEAAAAAAAAAAgAIAIAAAAAAIAgAAEAAAAFgCAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-aminopentyl)-N-hydroxy-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-aminopentyl)-N-hydroxyacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-aminopentyl)-<I>N</I>-hydroxyacetamide

> <PUBCHEM_IUPAC_NAME>
N-(5-aminopentyl)-N-hydroxyacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(5-azanylpentyl)-N-oxidanyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(5-aminopentyl)-N-hydroxy-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H16N2O2/c1-7(10)9(11)6-4-2-3-5-8/h11H,2-6,8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ATUUAJPBSMFUFR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.6

> <PUBCHEM_EXACT_MASS>
160.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C7H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
160.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)N(CCCCCN)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N(CCCCCN)O

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
160.121177757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
