Mrv0541 02241201492D          

 10 11  0  0  0  0            999 V2000
    9.3522   -6.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3522   -6.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6376   -5.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6376   -7.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9232   -6.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9232   -6.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1367   -5.7637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6215   -6.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1366   -7.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3914   -7.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0011664

> <DATABASE_NAME>
bmdb

> <SMILES>
C=C1C=NC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C9H7N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H2

> <INCHI_KEY>
BCNUXXXHEIUHJB-UHFFFAOYSA-N

> <FORMULA>
C9H7N

> <MOLECULAR_WEIGHT>
129.1586

> <EXACT_MASS>
129.057849229

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
14.083628644599568

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-methylidene-3H-indole

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
2.2309315876666664

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.306820778042735

> <JCHEM_POLAR_SURFACE_AREA>
12.36

> <JCHEM_REFRACTIVITY>
43.505700000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.36e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-methyleneindolenine

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0011664

> <GENERIC_NAME>
3-Methylene-indolenine

$$$$