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3'-(4-Nitrophenyl)Epibatidine
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NAMES
  • 3'-(4-Nitrophenyl)Epibatidine
SMILES
O=[N+]([O-])c1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3N4)cnc2Cl)cc1
InChI
InChI=1S/C17H16ClN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2/t12-,14+,16+/m0/s1
MOLECULAR FORMULA
C17H16ClN3O2
CROSS REFERENCES
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3'-(4-Nitrophenyl)Epibatidine

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 329.09
AlogP 3.92
HBond donors 1
HBond acceptors 5
Atoms 39
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 3'-(4-Nitrophenyl)Epibatidine.