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

Formula:C18H11N3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-chloroanilino)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C18H11N3Cl2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=C\Nc(cccc1)c1Cl
InChI	InChI=1S/C18H11Cl2N3S/c19-14-7-5-12(6-8-14)17-11-24-18(23-17)13(9-21)10-22-16-4-2-1-3-15(16)20/h1-8,10-11,22H
InChIK	WYHNFCRKXATNME-UHFFFAOYSA-N
TotalMolweight	372.278
Molweight	372.278
MonoisotopicMass	371.005071
CLogP	4.2956
CLogS	-5.855
H Acceptors	3
H Donors	1
TotalSurfaceArea	276.2
Relative PSA	0.20402
PolarSurfaceArea	76.95
Druglikeness	-1.6292
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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