(E)-N-(2-bromo-4-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide

Formula:C15H10N2O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-bromo-4-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-bromo-4-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C15H10N2O3BrF
Smiles	[O-][N+](c(cc1)cc(Br)c1NC(/C=C/c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C15H10BrFN2O3/c16-13-9-12(19(21)22)6-7-14(13)18-15(20)8-3-10-1-4-11(17)5-2-10/h1-9H,(H,18,20)
InChIK	ZDYDUDHULLONMB-UHFFFAOYSA-N
TotalMolweight	365.157
Molweight	365.157
MonoisotopicMass	363.985882
CLogP	3.0407
CLogS	-5.106
H Acceptors	5
H Donors	1
TotalSurfaceArea	237.38
Relative PSA	0.23136
PolarSurfaceArea	74.92
Druglikeness	-8.6683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68182
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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