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

Formula:C21H13N4FS Mutagenic:none Tumorigenic:high Reproductive Effective:none (2E)-N-(4-fluoroanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2E)-N-(4-fluoroanilino)-4-naphthalen-1-yl-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C21H13N4FS
Smiles	N#C/C(/c1nc(-c2cccc3ccccc23)cs1)=N\Nc(cc1)ccc1F
InChI	InChI=1S/C21H13FN4S/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	ARFQJDUATTXIER-UHFFFAOYSA-N
TotalMolweight	372.426
Molweight	372.426
MonoisotopicMass	372.084494
CLogP	5.8999
CLogS	-6.385
H Acceptors	4
H Donors	1
TotalSurfaceArea	284.57
Relative PSA	0.23847
PolarSurfaceArea	89.31
Druglikeness	-1.7199
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
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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