321710
  -OEChem-05302104222D

 17 18  0     0  0  0  0  0  0999 V2000
    6.2619    0.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    1.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.5687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
321710

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAQAAAADAiBmAAwwILAAACIAiVSUACCAAAhAgAIiAEAZIgIIDLAlZGEIAhglADIyAcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
JYGFTBXVXVMTGB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.2

> <PUBCHEM_EXACT_MASS>
133.052763847

> <PUBCHEM_MOLECULAR_FORMULA>
C8H7NO

> <PUBCHEM_MOLECULAR_WEIGHT>
133.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=CC=CC=C2NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=CC=CC=C2NC1=O

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
133.052763847

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

> <PUBCHEM_BONDANNOTATIONS>
3  5  8
3  7  8
5  8  8
7  9  8
8  10  8
9  10  8

$$$$
