(2E)-4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide

Formula:C17H9N4Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C17H9N4Cl3S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N\Nc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H9Cl3N4S/c18-11-3-1-10(2-4-11)16-9-25-17(22-16)15(8-21)24-23-14-6-5-12(19)7-13(14)20/h1-7,9,23H
InChIK	RXCYKJMORDSJLD-UHFFFAOYSA-N
TotalMolweight	407.711
Molweight	407.711
MonoisotopicMass	405.961347
CLogP	6.4227
CLogS	-6.673
H Acceptors	4
H Donors	1
TotalSurfaceArea	289.88
Relative PSA	0.2341
PolarSurfaceArea	89.31
Druglikeness	-0.35901
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
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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