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

Formula:C15H9N3O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
MolecularFormula	C15H9N3O5Cl2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1NC(/C=C/c(cc1)cc(Cl)c1Cl)=O)=O
InChI	InChI=1S/C15H9Cl2N3O5/c16-11-4-1-9(7-12(11)17)2-6-15(21)18-13-5-3-10(19(22)23)8-14(13)20(24)25/h1-8H,(H,18,21)
InChIK	VHVAEQAVHZPTOP-UHFFFAOYSA-N
TotalMolweight	382.158
Molweight	382.158
MonoisotopicMass	380.991926
CLogP	2.5051
CLogS	-5.89
H Acceptors	8
H Donors	1
TotalSurfaceArea	266.91
Relative PSA	0.31973
PolarSurfaceArea	120.74
Druglikeness	-5.4509
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
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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