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

Formula:C19H14N5O6ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)propanehydrazide is not a drug-like molecule.

MolName	3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N'-(2,4-dinitrophenyl)propanehydrazide
MolecularFormula	C19H14N5O6ClS2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1NNC(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O)=O
InChI	InChI=1S/C19H14ClN5O6S2/c20-13-4-2-1-3-11(13)9-16-18(27)23(19(32)33-16)8-7-17(26)22-21-14-6-5-12(24(28)29)10-15(14)25(30)31/h1-6,9-10,21H,7-8H2,(H,22,26)
InChIK	ZEMPKJKZRBWKQE-UHFFFAOYSA-N
TotalMolweight	507.934
Molweight	507.934
MonoisotopicMass	507.007402
CLogP	1.8565
CLogS	-5.948
H Acceptors	11
H Donors	2
TotalSurfaceArea	353.43
Relative PSA	0.44954
PolarSurfaceArea	210.47
Druglikeness	0.403
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
AcidicOxygens	2
StereoCon

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

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