Mrv1572004251602502D          

 22 24  0  0  0  0            999 V2000
    4.4254    1.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4629    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123    2.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042    4.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0164    4.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    3.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112    4.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2094    4.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2713    3.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013    3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632    4.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574    4.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7193    3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082    3.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123    3.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3603    2.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728    1.3372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 16  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  4  2  0  0  0  0
 20 15  1  0  0  0  0
 20 17  1  0  0  0  0
 20 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21  3  1  0  0  0  0
 21 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM021194

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]C(C)=C1N(C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4-

> <INCHI_KEY>
AJRJPORIQGYFMT-PVOVUMCXSA-N

> <FORMULA>
C20H23N

> <MOLECULAR_WEIGHT>
277.411

> <EXACT_MASS>
277.183049745

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
32.982659688252326

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine

> <ALOGPS_LOGP>
5.26

> <JCHEM_LOGP>
4.629964395333333

> <ALOGPS_LOGS>
-4.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.640531803821883

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
101.9382

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine

$$$$