N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]-2-nitrobenzohydrazide

Formula:C21H17N4O5ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]-2-nitrobenzohydrazide is not a drug-like molecule.

MolName	N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]-2-nitrobenzohydrazide
MolecularFormula	C21H17N4O5ClS2
Smiles	[O-][N+](c(cccc1)c1C(NNC(CCCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O)=O)=O
InChI	InChI=1S/C21H17ClN4O5S2/c22-15-8-3-1-6-13(15)12-17-20(29)25(21(32)33-17)11-5-10-18(27)23-24-19(28)14-7-2-4-9-16(14)26(30)31/h1-4,6-9,12H,5,10-11H2,(H,23,27)(H,24,28)
InChIK	XIGCQESAPOMLQW-UHFFFAOYSA-N
TotalMolweight	504.974
Molweight	504.974
MonoisotopicMass	504.032888
CLogP	1.5932
CLogS	-6.33
H Acceptors	9
H Donors	2
TotalSurfaceArea	361.27
Relative PSA	0.39167
PolarSurfaceArea	181.72
Druglikeness	-0.53678
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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1 - N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]-2-nitrobenzohydrazide | 2 - N'-[4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]-2-nitrobenzohydrazide

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