(2E)-N-(4-chloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide

Formula:C17H11N4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low (2E)-N-(4-chloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-N-(4-chloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H11N4ClS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=N\Nc(cc1)ccc1Cl
InChI	InChI=1S/C17H11ClN4S/c18-13-6-8-14(9-7-13)21-22-15(10-19)17-20-16(11-23-17)12-4-2-1-3-5-12/h1-9,11,21H
InChIK	ALHMCMOSGILSDR-UHFFFAOYSA-N
TotalMolweight	338.821
Molweight	338.821
MonoisotopicMass	338.039293
CLogP	5.2107
CLogS	-5.201
H Acceptors	4
H Donors	1
TotalSurfaceArea	259.04
Relative PSA	0.26197
PolarSurfaceArea	89.31
Druglikeness	-0.35901
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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