4-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]benzonitrile

Formula:C16H9NOCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]benzonitrile
MolecularFormula	C16H9NOCl2
Smiles	N#Cc(cc1)ccc1C(/C=C/c1cccc(Cl)c1Cl)=O
InChI	InChI=1S/C16H9Cl2NO/c17-14-3-1-2-13(16(14)18)8-9-15(20)12-6-4-11(10-19)5-7-12/h1-9H
InChIK	LKMPQVFLGYDGPS-UHFFFAOYSA-N
TotalMolweight	302.159
Molweight	302.159
MonoisotopicMass	301.006118
CLogP	4.3514
CLogS	-6.085
H Acceptors	2
TotalSurfaceArea	229.82
Relative PSA	0.11574
PolarSurfaceArea	40.86
Druglikeness	-3.9086
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
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
Symmetricatoms	2
StereoCon

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