(E)-3-anilino-2-(4-chlorophenyl)prop-2-enenitrile

Formula:C15H11N2Cl Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-3-anilino-2-(4-chlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-anilino-2-(4-chlorophenyl)prop-2-enenitrile
MolecularFormula	C15H11N2Cl
Smiles	N#C/C(/c(cc1)ccc1Cl)=C/Nc1ccccc1
InChI	InChI=1S/C15H11ClN2/c16-14-8-6-12(7-9-14)13(10-17)11-18-15-4-2-1-3-5-15/h1-9,11,18H
InChIK	VBLSFDCBVGTJOW-UHFFFAOYSA-N
TotalMolweight	254.719
Molweight	254.719
MonoisotopicMass	254.061075
CLogP	3.1093
CLogS	-4.311
H Acceptors	2
H Donors	1
TotalSurfaceArea	206.32
Relative PSA	0.12127
PolarSurfaceArea	35.82
Druglikeness	-4.6784
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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