(E)-N-(2,5-dichlorophenyl)-3-(4-nitrophenyl)prop-2-enamide

Formula:C15H10N2O3Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-N-(2,5-dichlorophenyl)-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2,5-dichlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C15H10N2O3Cl2
Smiles	[O-][N+](c1ccc(/C=C/C(Nc(cc(cc2)Cl)c2Cl)=O)cc1)=O
InChI	InChI=1S/C15H10Cl2N2O3/c16-11-4-7-13(17)14(9-11)18-15(20)8-3-10-1-5-12(6-2-10)19(21)22/h1-9H,(H,18,20)
InChIK	XGTZSXJSCLZMGF-UHFFFAOYSA-N
TotalMolweight	337.161
Molweight	337.161
MonoisotopicMass	336.006847
CLogP	3.4267
CLogS	-5.43
H Acceptors	5
H Donors	1
TotalSurfaceArea	243.24
Relative PSA	0.22579
PolarSurfaceArea	74.92
Druglikeness	-5.4509
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
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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