Mrv1652304272018512D          

 15 17  0  0  0  0            999 V2000
   -2.0305    2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6702    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2020    2.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9557    1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8695    0.8860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005746

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C(C)C2=CC3=CC=CC=C3C=C2S1

> <INCHI_IDENTIFIER>
InChI=1S/C14H12S/c1-9-10(2)15-14-8-12-6-4-3-5-11(12)7-13(9)14/h3-8H,1-2H3

> <INCHI_KEY>
RLOMWTGAHPLPGX-UHFFFAOYSA-N

> <FORMULA>
C14H12S

> <MOLECULAR_WEIGHT>
212.31

> <EXACT_MASS>
212.06597156

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
24.627795439794586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,3-dimethylnaphtho[2,3-b]thiophene

> <ALOGPS_LOGP>
4.86

> <JCHEM_LOGP>
4.998029567666666

> <ALOGPS_LOGS>
-4.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
65.94579999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.59e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3-dimethylnaphtho[2,3-b]thiophene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005746

> <GENERIC_NAME>
Naphtho[2,3-b]thiophene, dimethyl-

$$$$