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

Formula:C16H10N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chlorophenyl)-N-(2-cyano-4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-(2-cyano-4-nitrophenyl)prop-2-enamide
MolecularFormula	C16H10N3O3Cl
Smiles	N#Cc(cc(cc1)[N+]([O-])=O)c1NC(/C=C/c(cc1)ccc1Cl)=O
InChI	InChI=1S/C16H10ClN3O3/c17-13-4-1-11(2-5-13)3-8-16(21)19-15-7-6-14(20(22)23)9-12(15)10-18/h1-9H,(H,19,21)
InChIK	LZNFDNXMPWZRRW-UHFFFAOYSA-N
TotalMolweight	327.726
Molweight	327.726
MonoisotopicMass	327.041069
CLogP	2.6563
CLogS	-5.467
H Acceptors	6
H Donors	1
TotalSurfaceArea	249.53
Relative PSA	0.27444
PolarSurfaceArea	98.71
Druglikeness	-9.7309
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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