Mrv0541 02241217012D          

 11 12  0  0  0  0            999 V2000
    1.4430   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005    1.0309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005   -1.4434    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
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  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
M  END
> <DATABASE_ID>
CHEM023373

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC=NC2=C1CCCC2

> <INCHI_IDENTIFIER>
InChI=1S/C10H13N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h6-7H,2-5H2,1H3

> <INCHI_KEY>
LGYCOYCCCKHXGC-UHFFFAOYSA-N

> <FORMULA>
C10H13N

> <MOLECULAR_WEIGHT>
147.2169

> <EXACT_MASS>
147.104799421

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.421648193129506

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-methyl-5,6,7,8-tetrahydroquinoline

> <ALOGPS_LOGP>
2.66

> <JCHEM_LOGP>
2.5951649460000006

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.7380211505869125

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
46.000699999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.86e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-methyl-5,6,7,8-tetrahydroquinoline

> <JCHEM_VEBER_RULE>
1

> <NAME>
5,6,7,8-Tetrahydro-4-methylquinoline

> <CAS>
28971-03-1

$$$$