N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide

Formula:C16H12N7O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide is not a drug-like molecule.

MolName	N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide
MolecularFormula	C16H12N7O4ClS
Smiles	[O-][N+](c(cc1)ccc1C(NNC(CSc1nnnn1-c(cc1)ccc1Cl)=O)=O)=O
InChI	InChI=1S/C16H12ClN7O4S/c17-11-3-7-12(8-4-11)23-16(20-21-22-23)29-9-14(25)18-19-15(26)10-1-5-13(6-2-10)24(27)28/h1-8H,9H2,(H,18,25)(H,19,26)
InChIK	FYTYCWMOOHDWHG-UHFFFAOYSA-N
TotalMolweight	433.835
Molweight	433.835
MonoisotopicMass	433.036
CLogP	0.6555
CLogS	-5.116
H Acceptors	11
H Donors	2
TotalSurfaceArea	307.02
Relative PSA	0.44522
PolarSurfaceArea	172.92
Druglikeness	-3.1439
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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1 - N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide | 2 - N'-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-4-nitrobenzohydrazide

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