4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile

Formula:C16H11NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile
MolecularFormula	C16H11NO2
Smiles	N#Cc1ccc(/C=C/C(c(cccc2)c2O)=O)cc1
InChI	InChI=1S/C16H11NO2/c17-11-13-7-5-12(6-8-13)9-10-16(19)14-3-1-2-4-15(14)18/h1-10,18H
InChIK	NLXKPBYOVGGPRF-UHFFFAOYSA-N
TotalMolweight	249.268
Molweight	249.268
MonoisotopicMass	249.078979
CLogP	2.7937
CLogS	-4.317
H Acceptors	3
H Donors	1
TotalSurfaceArea	205.33
Relative PSA	0.19335
PolarSurfaceArea	61.09
Druglikeness	-3.9706
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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