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C11H9N5O4S2 | Cheminformatics
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4-nitro-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide

Molecular Formula : C11H9N5O4S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |
4-nitro-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide is a drug-like molecule.

MolName : 4-nitro-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide

MolecularFormula : C11H9N5O4S2

Smiles : [O-][N+](c(cc1)ccc1C(NNC(CSc1nncs1)=O)=O)=O

InChI : InChI=1S/C11H9N5O4S2/c17-9(5-21-11-15-12-6-22-11)13-14-10(18)7-1-3-8(4-2-7)16(19)20/h1-4,6H,5H2,(H,13,17)(H,14,18)

InChIK : FQQNVNSBZBWRST-UHFFFAOYSA-N

TotalMolweight : 339.355

Molweight : 339.355

MonoisotopicMass : 339.009595

CLogP : -0.6015

CLogS : -3.351

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 239.82

Relative PSA : 0.58048

PolarSurfaceArea : 183.34

Druglikeness : -2.3169

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 11

Electronegative Atoms : 11

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 3

Symmetricatoms : 2

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :

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1 - 4-nitro-N'-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzohydrazide
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