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

Formula:C15H10NOBrCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:high (E)-3-(4-bromophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
MolecularFormula	C15H10NOBrCl2
Smiles	O=C(/C=C/c(cc1)ccc1Br)Nc(cc(cc1)Cl)c1Cl
InChI	InChI=1S/C15H10BrCl2NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-9-12(17)6-7-13(14)18/h1-9H,(H,19,20)
InChIK	MOQWRRNDPCHMBU-UHFFFAOYSA-N
TotalMolweight	371.06
Molweight	371.06
MonoisotopicMass	368.932279
CLogP	5.0735
CLogS	-5.804
H Acceptors	2
H Donors	1
TotalSurfaceArea	238.2
Relative PSA	0.10285
PolarSurfaceArea	29.1
Druglikeness	-2.1529
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	1
StereoCon

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