Mrv0541 09211104382D          

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M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D2996

> <SMILES>
CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3

> <INCHI_KEY>
InChIKey=HCYAFALTSJYZDH-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
31.763731667387464

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
266.178298714

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C18H22N2

> <JCHEM_IUPAC>
(3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)(methyl)amine

> <JCHEM_LOGP>
3.895520857

> <JCHEM_MASS>
266.3807

> <JCHEM_POLAR_SURFACE_AREA>
15.27

> <JCHEM_REFRACTIVITY>
85.31090000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_TRADITIONAL_IUPAC>
desipramine

$$$$