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

Formula:C21H13N4ClS Mutagenic:none Tumorigenic:high Reproductive Effective:low (2E)-N-(4-chloroanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-N-(4-chloroanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C21H13N4ClS
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=N\Nc(cc1)ccc1Cl
InChI	InChI=1S/C21H13ClN4S/c22-15-8-10-16(11-9-15)25-26-19(12-23)21-24-20(13-27-21)18-7-3-5-14-4-1-2-6-17(14)18/h1-11,13,25H
InChIK	UOQQXBAVHUJQFT-UHFFFAOYSA-N
TotalMolweight	388.881
Molweight	388.881
MonoisotopicMass	388.054943
CLogP	6.4051
CLogS	-6.807
H Acceptors	4
H Donors	1
TotalSurfaceArea	293.64
Relative PSA	0.2311
PolarSurfaceArea	89.31
Druglikeness	-0.35901
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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