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

Formula:C20H15N4O5ClS2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N'-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-4-nitrobenzohydrazide is a drug-like molecule.

MolName	N'-[3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-4-nitrobenzohydrazide
MolecularFormula	C20H15N4O5ClS2
Smiles	[O-][N+](c(cc1)ccc1C(NNC(CCN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S)=O)=O)=O
InChI	InChI=1S/C20H15ClN4O5S2/c21-15-4-2-1-3-13(15)11-16-19(28)24(20(31)32-16)10-9-17(26)22-23-18(27)12-5-7-14(8-6-12)25(29)30/h1-8,11H,9-10H2,(H,22,26)(H,23,27)
InChIK	SWESAFUYNPBKAW-UHFFFAOYSA-N
TotalMolweight	490.947
Molweight	490.947
MonoisotopicMass	490.017238
CLogP	1.1388
CLogS	-6.06
H Acceptors	9
H Donors	2
TotalSurfaceArea	347.51
Relative PSA	0.40718
PolarSurfaceArea	181.72
Druglikeness	0.403
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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

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