Mrv1652306031606282D          

 22 24  0  0  0  0            999 V2000
    4.3201    3.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    2.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    6.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8579    2.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668    5.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0696    1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263    5.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0415    2.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    4.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4648    2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    4.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    4.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911    3.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767    3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5099    5.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367    3.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0949    4.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6484    3.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    3.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7477    3.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6056    3.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4622    3.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 12 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  2  0  0  0  0
 16 12  1  0  0  0  0
 17  9  2  0  0  0  0
 17 15  1  0  0  0  0
 18 10  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21  1  1  0  0  0  0
 21  2  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM042968

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C)CCON=C1C2=CC=CC=C2CCC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3

> <INCHI_KEY>
GPTURHKXTUDRPC-UHFFFAOYSA-N

> <FORMULA>
C19H22N2O

> <MOLECULAR_WEIGHT>
294.398

> <EXACT_MASS>
294.173213336

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.40984801618201

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
dimethyl({2-[({tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}amino)oxy]ethyl})amine

> <ALOGPS_LOGP>
3.86

> <JCHEM_LOGP>
4.401800760333333

> <ALOGPS_LOGS>
-4.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.824399586531792

> <JCHEM_POLAR_SURFACE_AREA>
24.83

> <JCHEM_REFRACTIVITY>
91.23679999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.47e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyl[2-({tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylideneamino}oxy)ethyl]amine

> <JCHEM_VEBER_RULE>
1

> <NAME>
noxiptilin

> <CAS>
3362-45-6

$$$$