(E)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C16H10N6O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(E)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C16H10N6O2S2
Smiles	[O-][N+](c(cc1)cc(/C=N/n2cnnc2)c1Sc1nc(cccc2)c2s1)=O
InChI	InChI=1S/C16H10N6O2S2/c23-22(24)12-5-6-14(11(7-12)8-19-21-9-17-18-10-21)25-16-20-13-3-1-2-4-15(13)26-16/h1-10H
InChIK	QMDNRLGGGJMMGT-UHFFFAOYSA-N
TotalMolweight	382.427
Molweight	382.427
MonoisotopicMass	382.030664
CLogP	2.6297
CLogS	-7.392
H Acceptors	8
TotalSurfaceArea	274.72
Relative PSA	0.43521
PolarSurfaceArea	155.32
Druglikeness	-1.4409
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - (E)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (E)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine

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