N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-nitrobenzohydrazide

Formula:C16H13N5O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-nitrobenzohydrazide is a drug-like molecule.

MolName	N'-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-4-nitrobenzohydrazide
MolecularFormula	C16H13N5O4S
Smiles	[O-][N+](c(cc1)ccc1C(NNC(CSc1nc(cccc2)c2[nH]1)=O)=O)=O
InChI	InChI=1S/C16H13N5O4S/c22-14(9-26-16-17-12-3-1-2-4-13(12)18-16)19-20-15(23)10-5-7-11(8-6-10)21(24)25/h1-8H,9H2,(H,17,18)(H,19,22)(H,20,23)
InChIK	ATMIUOCRMHFIME-UHFFFAOYSA-N
TotalMolweight	371.376
Molweight	371.376
MonoisotopicMass	371.068825
CLogP	0.5801
CLogS	-4.292
H Acceptors	9
H Donors	3
TotalSurfaceArea	269.29
Relative PSA	0.45256
PolarSurfaceArea	158
Druglikeness	-2.5397
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	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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