Mrv0541 02231220332D          

 11 13  0  0  0  0            999 V2000
    9.7599   -4.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -3.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -3.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   -3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349   -4.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   -5.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -5.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -4.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349   -4.6304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0006215

> <DATABASE_NAME>
bmdb

> <SMILES>
O1C2C=CC3=CC=CC=C3C12

> <INCHI_IDENTIFIER>
InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H

> <INCHI_KEY>
XQIJIALOJPIKGX-UHFFFAOYSA-N

> <FORMULA>
C10H8O

> <MOLECULAR_WEIGHT>
144.1699

> <EXACT_MASS>
144.057514878

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.258415677501947

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1aH,7bH-naphtho[1,2-b]oxirene

> <ALOGPS_LOGP>
1.89

> <JCHEM_LOGP>
2.158174723666667

> <ALOGPS_LOGS>
-2.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.267009378937977

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
43.8697

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.81e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
naphthalene 1,2-oxide

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0006215

> <GENERIC_NAME>
Naphthalene epoxide

$$$$