Mrv1652303192001503D          

 15 17  0  0  0  0            999 V2000
   -2.9291   -1.9925    0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303   -2.4337    0.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070    2.4060   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873   -0.7466    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240    1.3831   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5641   -1.6426    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0629    1.8492    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474    0.2986    0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4695   -1.1580    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1005    0.0228   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8013   -0.4123   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226    0.5255   -0.4469 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6067    0.1398   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514    0.8709    0.3476 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3033   -1.0181   -0.7861 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000671

> <DATABASE_NAME>
CDB

> <SMILES>
C1CN=C(N1)[C@@H]1CCCC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)/t12-/m1/s1

> <INCHI_KEY>
BYJAVTDNIXVSPW-GFCCVEGCSA-N

> <FORMULA>
C13H16N2

> <MOLECULAR_WEIGHT>
200.285

> <EXACT_MASS>
200.131348523

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
22.919527009480948

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole

> <ALOGPS_LOGP>
3.11

> <JCHEM_LOGP>
2.2408906230000003

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.166670151811907

> <JCHEM_POLAR_SURFACE_AREA>
24.39

> <JCHEM_REFRACTIVITY>
61.48380000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000671

> <GENERIC_NAME>
Tetrahydrozoline

$$$$