(E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide

Formula:C23H16N3O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C23H16N3O4Br
Smiles	N#C/C(/C(Nc(cc1)ccc1[N+]([O-])=O)=O)=C\c(cc(cc1)Br)c1OCc1ccccc1
InChI	InChI=1S/C23H16BrN3O4/c24-19-6-11-22(31-15-16-4-2-1-3-5-16)17(13-19)12-18(14-25)23(28)26-20-7-9-21(10-8-20)27(29)30/h1-13H,15H2,(H,26,28)
InChIK	AIOFWWVOSYYNMM-UHFFFAOYSA-N
TotalMolweight	478.301
Molweight	478.301
MonoisotopicMass	477.032418
CLogP	4.14
CLogS	-6.405
H Acceptors	7
H Donors	1
TotalSurfaceArea	334.47
Relative PSA	0.23464
PolarSurfaceArea	107.94
Druglikeness	-8.8129
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	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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