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

Formula:C15H10N2Cl2 Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(3-chloroanilino)-2-(4-chlorophenyl)prop-2-enenitrile
MolecularFormula	C15H10N2Cl2
Smiles	N#C/C(/c(cc1)ccc1Cl)=C/Nc1cccc(Cl)c1
InChI	InChI=1S/C15H10Cl2N2/c16-13-6-4-11(5-7-13)12(9-18)10-19-15-3-1-2-14(17)8-15/h1-8,10,19H
InChIK	PCXPCVIOGVMYBD-UHFFFAOYSA-N
TotalMolweight	289.164
Molweight	289.164
MonoisotopicMass	288.022102
CLogP	3.7153
CLogS	-5.047
H Acceptors	2
H Donors	1
TotalSurfaceArea	221.74
Relative PSA	0.11283
PolarSurfaceArea	35.82
Druglikeness	-4.6784
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
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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