Mrv0541 07181413192D          

 12 13  0  0  0  0            999 V2000
   17.4134   -5.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6988   -4.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9844   -5.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9844   -6.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6988   -6.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4134   -6.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1278   -6.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8424   -6.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8424   -5.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1278   -4.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6988   -4.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1277   -4.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  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  6  2  0  0  0  0
  1 10  1  0  0  0  0
  6  7  1  0  0  0  0
  2 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008362

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC=CC2=C1C(C)=CC=C2

> <INCHI_IDENTIFIER>
InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3

> <INCHI_KEY>
XAABPYINPXYOLM-UHFFFAOYSA-N

> <FORMULA>
C12H12

> <MOLECULAR_WEIGHT>
156.2237

> <EXACT_MASS>
156.093900384

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
18.595676080503168

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,8-dimethylnaphthalene

> <ALOGPS_LOGP>
4.39

> <JCHEM_LOGP>
3.9895653513333333

> <ALOGPS_LOGS>
-4.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
52.5906

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.10e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,8-dimethylnaphthalene

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,8-Dimethylnaphthalene

> <CAS>
569-41-5

$$$$