(Z)-N-benzyl-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-cyanoprop-2-enamide

Formula:C17H12N2O2BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-benzyl-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(Z)-N-benzyl-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-cyanoprop-2-enamide
MolecularFormula	C17H12N2O2BrCl
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c(cc1Cl)cc(Br)c1O
InChI	InChI=1S/C17H12BrClN2O2/c18-14-7-12(8-15(19)16(14)22)6-13(9-20)17(23)21-10-11-4-2-1-3-5-11/h1-8,22H,10H2,(H,21,23)
InChIK	OBFJHODNMJUQSD-UHFFFAOYSA-N
TotalMolweight	391.651
Molweight	391.651
MonoisotopicMass	389.977066
CLogP	3.6832
CLogS	-4.86
H Acceptors	4
H Donors	2
TotalSurfaceArea	262.81
Relative PSA	0.19467
PolarSurfaceArea	73.12
Druglikeness	-3.0306
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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