Mrv1652305272020352D          

 10 11  0  0  0  0            999 V2000
   -2.9015    1.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160    2.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3305    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3306    0.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6161    0.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9015    0.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1170    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    1.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1168    2.0289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070    1.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005582

> <DATABASE_NAME>
CDB

> <SMILES>
O=C1CC2=CC=CC=C2N1

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

> <INCHI_KEY>
JYGFTBXVXVMTGB-UHFFFAOYSA-N

> <FORMULA>
C8H7NO

> <MOLECULAR_WEIGHT>
133.1473

> <EXACT_MASS>
133.052763851

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
13.698561232357015

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3-dihydro-1H-indol-2-one

> <JCHEM_LOGP>
1.0720501869999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.284746640939577

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.136061880454271

> <JCHEM_PKA_STRONGEST_BASIC>
-5.488596497373129

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
39.5849

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
oxindole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005582

> <GENERIC_NAME>
1-azaindan-2-one

$$$$