2-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate

Formula:C19H13N3O5FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-4-nitrophenolate
MolecularFormula	C19H13N3O5FS2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O
InChI	InChI=1S/C19H14FN3O5S2/c20-12-3-1-11(2-4-12)9-16-18(26)22(19(29)30-16)8-7-17(25)21-14-10-13(23(27)28)5-6-15(14)24/h1-6,9-10,24H,7-8H2,(H,21,25)/p-1
InChIK	OMSAUNOCRSMHCC-UHFFFAOYSA-M
TotalMolweight	446.458
Molweight	446.458
MonoisotopicMass	446.028065
CLogP	-0.1006
CLogS	-5.16
H Acceptors	8
H Donors	1
TotalSurfaceArea	316.76
Relative PSA	0.41445
PolarSurfaceArea	175.68
Druglikeness	-1.4677
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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