Mrv1533004251513032D          

 19 22  0  0  0  0            999 V2000
   -5.7365    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3240    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4990    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2615    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8490    1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2615    0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0865    0.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4990    1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3240    1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240    1.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5391    2.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7545    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5391    0.9210    0.0000 S   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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043903

> <DATABASE_NAME>
chemdb

> <SMILES>
S1C2=CC=CC=C2C=C1C1=CC2=CC=CC=C2C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H12S/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12H

> <INCHI_KEY>
VXNMJAGOXHIGRF-UHFFFAOYSA-N

> <FORMULA>
C18H12S

> <MOLECULAR_WEIGHT>
260.35

> <EXACT_MASS>
260.06597156

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
29.967044204434508

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(naphthalen-2-yl)-1-benzothiophene

> <ALOGPS_LOGP>
5.92

> <JCHEM_LOGP>
5.482678817666667

> <ALOGPS_LOGS>
-5.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
80.7686

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.33e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(naphthalen-2-yl)-1-benzothiophene

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-(2-Naphthalenyl)benzothiophene

> <CAS>
17164-77-1

$$$$