(E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide

Formula:C16H9N4O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C16H9N4O5Cl
Smiles	N#C/C(/C(Nc(cc1)cc([N+]([O-])=O)c1Cl)=O)=C\c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C16H9ClN4O5/c17-13-6-5-12(8-15(13)21(25)26)19-16(22)11(9-18)7-10-3-1-2-4-14(10)20(23)24/h1-8H,(H,19,22)
InChIK	SUEFMNYTWBCSIL-UHFFFAOYSA-N
TotalMolweight	372.723
Molweight	372.723
MonoisotopicMass	372.026148
CLogP	1.7511
CLogS	-5.426
H Acceptors	9
H Donors	1
TotalSurfaceArea	271.41
Relative PSA	0.36439
PolarSurfaceArea	144.53
Druglikeness	-6.7833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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