(2Z)-N-(2,4,5-trichloroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide

Formula:C15H7N4Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (2Z)-N-(2,4,5-trichloroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is not a drug-like molecule.

MolName	(2Z)-N-(2,4,5-trichloroanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
MolecularFormula	C15H7N4Cl3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=N/Nc(c(Cl)c1)cc(Cl)c1Cl
InChI	InChI=1S/C15H7Cl3N4S/c16-8-5-10(18)12(6-9(8)17)21-22-13(7-19)15-20-11-3-1-2-4-14(11)23-15/h1-6,21H
InChIK	ZNLZNYQVJXOGIB-UHFFFAOYSA-N
TotalMolweight	381.674
Molweight	381.674
MonoisotopicMass	379.945697
CLogP	5.8496
CLogS	-6.129
H Acceptors	4
H Donors	1
TotalSurfaceArea	264.72
Relative PSA	0.25635
PolarSurfaceArea	89.31
Druglikeness	-1.769
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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