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

Formula:C20H15N3O5FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate is a drug-like molecule.

MolName	2-[4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4-nitrophenolate
MolecularFormula	C20H15N3O5FS2
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(CCCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O
InChI	InChI=1S/C20H16FN3O5S2/c21-13-5-3-12(4-6-13)10-17-19(27)23(20(30)31-17)9-1-2-18(26)22-15-11-14(24(28)29)7-8-16(15)25/h3-8,10-11,25H,1-2,9H2,(H,22,26)/p-1
InChIK	FDZUCAJWCUMCIW-UHFFFAOYSA-M
TotalMolweight	460.485
Molweight	460.485
MonoisotopicMass	460.043715
CLogP	0.3538
CLogS	-5.43
H Acceptors	8
H Donors	1
TotalSurfaceArea	330.52
Relative PSA	0.39719
PolarSurfaceArea	175.68
Druglikeness	-2.3955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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