(E)-2-benzoyl-3-(5-chloro-2-hydroxyphenyl)prop-2-enenitrile

Formula:C16H10NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzoyl-3-(5-chloro-2-hydroxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-benzoyl-3-(5-chloro-2-hydroxyphenyl)prop-2-enenitrile
MolecularFormula	C16H10NO2Cl
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c(cc(cc1)Cl)c1O
InChI	InChI=1S/C16H10ClNO2/c17-14-6-7-15(19)12(9-14)8-13(10-18)16(20)11-4-2-1-3-5-11/h1-9,19H
InChIK	KGGSYGMLQYDWAK-UHFFFAOYSA-N
TotalMolweight	283.713
Molweight	283.713
MonoisotopicMass	283.040006
CLogP	3.4161
CLogS	-4.552
H Acceptors	3
H Donors	1
TotalSurfaceArea	218.96
Relative PSA	0.18131
PolarSurfaceArea	61.09
Druglikeness	-3.7205
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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