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

Formula:C20H15N4O5FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-nitrobenzohydrazide is a drug-like molecule.

MolName	N'-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-nitrobenzohydrazide
MolecularFormula	C20H15N4O5FS2
Smiles	[O-][N+](c(cccc1)c1C(NNC(CCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O)=O)=O
InChI	InChI=1S/C20H15FN4O5S2/c21-13-7-5-12(6-8-13)11-16-19(28)24(20(31)32-16)10-9-17(26)22-23-18(27)14-3-1-2-4-15(14)25(29)30/h1-8,11H,9-10H2,(H,22,26)(H,23,27)
InChIK	QPTAJBPEYAGLAK-UHFFFAOYSA-N
TotalMolweight	474.492
Molweight	474.492
MonoisotopicMass	474.046789
CLogP	0.6336
CLogS	-5.638
H Acceptors	9
H Donors	2
TotalSurfaceArea	338.44
Relative PSA	0.41809
PolarSurfaceArea	181.72
Druglikeness	-0.99082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
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-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-nitrobenzohydrazide | 2 - N'-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-nitrobenzohydrazide

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