Mrv0541 02241216482D          

 12 13  0  0  0  0            999 V2000
   -0.0416    1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416    1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4434   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009    0.6184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7009   -1.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4434   -0.6184    0.0000 C   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
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM023372

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=NC2=C(CCCC2)C(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H15N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7H,3-6H2,1-2H3

> <INCHI_KEY>
ZBIKAJHAGKBFKR-UHFFFAOYSA-N

> <FORMULA>
C11H15N

> <MOLECULAR_WEIGHT>
161.2435

> <EXACT_MASS>
161.120449485

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
19.70712685004799

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,4-dimethyl-5,6,7,8-tetrahydroquinoline

> <ALOGPS_LOGP>
3.32

> <JCHEM_LOGP>
2.726535115

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.400026699816524

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
50.5922

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4-dimethyl-5,6,7,8-tetrahydroquinoline

> <JCHEM_VEBER_RULE>
1

> <NAME>
5,6,7,8-Tetrahydro-2,4-dimethylquinoline

> <CAS>
60169-66-6

$$$$