(E)-3-(2-chloroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C18H10N3Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-chloroanilino)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H10N3Cl3S
Smiles	N#C/C(/c1nc(-c(cc2)cc(Cl)c2Cl)cs1)=C\Nc(cccc1)c1Cl
InChI	InChI=1S/C18H10Cl3N3S/c19-13-6-5-11(7-15(13)21)17-10-25-18(24-17)12(8-22)9-23-16-4-2-1-3-14(16)20/h1-7,9-10,23H
InChIK	KZZQSHYQESRHAY-UHFFFAOYSA-N
TotalMolweight	406.723
Molweight	406.723
MonoisotopicMass	404.966098
CLogP	4.9016
CLogS	-6.591
H Acceptors	3
H Donors	1
TotalSurfaceArea	291.62
Relative PSA	0.19323
PolarSurfaceArea	76.95
Druglikeness	-1.6292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Aromatic Nitrogens	1
StereoCon

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