(E)-3-(5-bromo-2-hydroxyphenyl)-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide

Formula:C16H9N2O2BrClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(5-bromo-2-hydroxyphenyl)-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-(5-bromo-2-hydroxyphenyl)-N-(3-chloro-4-fluorophenyl)-2-cyanoprop-2-enamide
MolecularFormula	C16H9N2O2BrClF
Smiles	N#C/C(/C(Nc(cc1)cc(Cl)c1F)=O)=C\c(cc(cc1)Br)c1O
InChI	InChI=1S/C16H9BrClFN2O2/c17-11-1-4-15(22)9(6-11)5-10(8-20)16(23)21-12-2-3-14(19)13(18)7-12/h1-7,22H,(H,21,23)
InChIK	IGBGKUCYDNSQKL-UHFFFAOYSA-N
TotalMolweight	395.614
Molweight	395.614
MonoisotopicMass	393.951994
CLogP	4.0746
CLogS	-5.358
H Acceptors	4
H Donors	2
TotalSurfaceArea	255.4
Relative PSA	0.20031
PolarSurfaceArea	73.12
Druglikeness	-4.8196
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
StereoCon

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