N'-[3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-4-nitrobenzohydrazide

Formula:C20H16N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-4-nitrobenzohydrazide is a drug-like molecule.

MolName	N'-[3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-4-nitrobenzohydrazide
MolecularFormula	C20H16N4O5S2
Smiles	[O-][N+](c(cc1)ccc1C(NNC(CCN(C(/C(/S1)=C\c2ccccc2)=O)C1=S)=O)=O)=O
InChI	InChI=1S/C20H16N4O5S2/c25-17(21-22-18(26)14-6-8-15(9-7-14)24(28)29)10-11-23-19(27)16(31-20(23)30)12-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChIK	VZAWOFUOBBVFJP-UHFFFAOYSA-N
TotalMolweight	456.502
Molweight	456.502
MonoisotopicMass	456.056211
CLogP	0.5328
CLogS	-5.324
H Acceptors	9
H Donors	2
TotalSurfaceArea	332.09
Relative PSA	0.42609
PolarSurfaceArea	181.72
Druglikeness	0.34918
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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