(2E)-N-(naphthalen-2-ylamino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide

Formula:C21H13N5O2S Mutagenic:low Tumorigenic:high Reproductive Effective:none (2E)-N-(naphthalen-2-ylamino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2E)-N-(naphthalen-2-ylamino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
MolecularFormula	C21H13N5O2S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=N\Nc1cc2ccccc2cc1
InChI	InChI=1S/C21H13N5O2S/c22-12-19(25-24-17-9-8-14-4-1-2-5-15(14)10-17)21-23-20(13-29-21)16-6-3-7-18(11-16)26(27)28/h1-11,13,24H
InChIK	XSYRMXJPBPMETI-UHFFFAOYSA-N
TotalMolweight	399.433
Molweight	399.433
MonoisotopicMass	399.078995
CLogP	4.8775
CLogS	-6.531
H Acceptors	7
H Donors	1
TotalSurfaceArea	301.89
Relative PSA	0.32555
PolarSurfaceArea	135.13
Druglikeness	-5.6075
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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