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

Formula:C16H9N2OBrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-bromophenyl)-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
MolecularFormula	C16H9N2OBrCl2
Smiles	N#C/C(/C(Nc(ccc(Cl)c1)c1Cl)=O)=C\c(cccc1)c1Br
InChI	InChI=1S/C16H9BrCl2N2O/c17-13-4-2-1-3-10(13)7-11(9-20)16(22)21-15-6-5-12(18)8-14(15)19/h1-8H,(H,21,22)
InChIK	BVHVCSFXOWGVPF-UHFFFAOYSA-N
TotalMolweight	396.07
Molweight	396.07
MonoisotopicMass	393.927528
CLogP	4.9255
CLogS	-6.076
H Acceptors	3
H Donors	1
TotalSurfaceArea	258.12
Relative PSA	0.14745
PolarSurfaceArea	52.89
Druglikeness	-3.4915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Amides	1
StereoCon

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