(Z)-2-(4-chlorophenyl)-3-(3,5-dichloroanilino)prop-2-enenitrile

Formula:C15H9N2Cl3 Mutagenic:none Tumorigenic:low Reproductive Effective:low (Z)-2-(4-chlorophenyl)-3-(3,5-dichloroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(4-chlorophenyl)-3-(3,5-dichloroanilino)prop-2-enenitrile
MolecularFormula	C15H9N2Cl3
Smiles	N#C/C(/c(cc1)ccc1Cl)=C\Nc1cc(Cl)cc(Cl)c1
InChI	InChI=1S/C15H9Cl3N2/c16-12-3-1-10(2-4-12)11(8-19)9-20-15-6-13(17)5-14(18)7-15/h1-7,9,20H
InChIK	HJVKBIDSPCZJEH-UHFFFAOYSA-N
TotalMolweight	323.609
Molweight	323.609
MonoisotopicMass	321.983129
CLogP	4.3213
CLogS	-5.783
H Acceptors	2
H Donors	1
TotalSurfaceArea	237.16
Relative PSA	0.1055
PolarSurfaceArea	35.82
Druglikeness	-4.6784
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	5
StereoCon

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