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

Formula:C15H11N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(3-chlorophenyl)-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-chlorophenyl)-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C15H11N2O3Cl
Smiles	[O-][N+](c1c(/C=C/C(Nc2cccc(Cl)c2)=O)cccc1)=O
InChI	InChI=1S/C15H11ClN2O3/c16-12-5-3-6-13(10-12)17-15(19)9-8-11-4-1-2-7-14(11)18(20)21/h1-10H,(H,17,19)
InChIK	HKMKBTWRXPOYFT-UHFFFAOYSA-N
TotalMolweight	302.716
Molweight	302.716
MonoisotopicMass	302.04582
CLogP	2.8207
CLogS	-4.694
H Acceptors	5
H Donors	1
TotalSurfaceArea	227.82
Relative PSA	0.24107
PolarSurfaceArea	74.92
Druglikeness	-5.4509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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