(E)-3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-N-cyclohexylprop-2-enamide

Formula:C23H22N3O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-N-cyclohexylprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-2-cyano-N-cyclohexylprop-2-enamide
MolecularFormula	C23H22N3O4Br
Smiles	N#C/C(/C(NC1CCCCC1)=O)=C\c(cc(cc1)Br)c1OCc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C23H22BrN3O4/c24-19-8-11-22(31-15-16-6-9-21(10-7-16)27(29)30)17(13-19)12-18(14-25)23(28)26-20-4-2-1-3-5-20/h6-13,20H,1-5,15H2,(H,26,28)
InChIK	LBKMNHAXDKJGGH-UHFFFAOYSA-N
TotalMolweight	484.349
Molweight	484.349
MonoisotopicMass	483.079368
CLogP	3.987
CLogS	-6.472
H Acceptors	7
H Donors	1
TotalSurfaceArea	342.51
Relative PSA	0.22913
PolarSurfaceArea	107.94
Druglikeness	-12.777
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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