(2E)-N-(1,3-benzothiazol-6-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide

Formula:C16H9N5S2 Mutagenic:low Tumorigenic:high Reproductive Effective:none (2E)-N-(1,3-benzothiazol-6-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide is a drug-like molecule.

MolName	(2E)-N-(1,3-benzothiazol-6-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide
MolecularFormula	C16H9N5S2
Smiles	N#C/C(/c1nc(cccc2)c2s1)=N\Nc(cc1)cc2c1ncs2
InChI	InChI=1S/C16H9N5S2/c17-8-13(16-19-12-3-1-2-4-14(12)23-16)21-20-10-5-6-11-15(7-10)22-9-18-11/h1-7,9,20H
InChIK	IXWBRWGIRNXYIX-UHFFFAOYSA-N
TotalMolweight	335.414
Molweight	335.414
MonoisotopicMass	335.029935
CLogP	3.986
CLogS	-4.148
H Acceptors	5
H Donors	1
TotalSurfaceArea	247.76
Relative PSA	0.40035
PolarSurfaceArea	130.44
Druglikeness	-1.7925
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	18
Aromatic Nitrogens	2
StereoCon

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