N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-nitrobenzohydrazide

Formula:C16H12N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-nitrobenzohydrazide is a drug-like molecule.

MolName	N'-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-4-nitrobenzohydrazide
MolecularFormula	C16H12N4O4S2
Smiles	[O-][N+](c(cc1)ccc1C(NNC(CSc1nc(cccc2)c2s1)=O)=O)=O
InChI	InChI=1S/C16H12N4O4S2/c21-14(9-25-16-17-12-3-1-2-4-13(12)26-16)18-19-15(22)10-5-7-11(8-6-10)20(23)24/h1-8H,9H2,(H,18,21)(H,19,22)
InChIK	LJDSSHGPKCMVKY-UHFFFAOYSA-N
TotalMolweight	388.427
Molweight	388.427
MonoisotopicMass	388.029996
CLogP	1.4107
CLogS	-5.148
H Acceptors	8
H Donors	2
TotalSurfaceArea	275.66
Relative PSA	0.46521
PolarSurfaceArea	170.45
Druglikeness	-2.8046
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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