(E)-N-[(3,4-dichlorophenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide

Formula:C16H12N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(3,4-dichlorophenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(3,4-dichlorophenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C16H12N2O3Cl2
Smiles	[O-][N+](c1ccc(/C=C/C(NCc(cc2)cc(Cl)c2Cl)=O)cc1)=O
InChI	InChI=1S/C16H12Cl2N2O3/c17-14-7-3-12(9-15(14)18)10-19-16(21)8-4-11-1-5-13(6-2-11)20(22)23/h1-9H,10H2,(H,19,21)
InChIK	VDLOPVNNRVPVQG-UHFFFAOYSA-N
TotalMolweight	351.188
Molweight	351.188
MonoisotopicMass	350.022497
CLogP	3.1361
CLogS	-5.246
H Acceptors	5
H Donors	1
TotalSurfaceArea	257
Relative PSA	0.2137
PolarSurfaceArea	74.92
Druglikeness	-4.9075
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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