4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenolate

Formula:C17H10N2O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenolate is a drug-like molecule.

MolName	4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenolate
MolecularFormula	C17H10N2O5FS
Smiles	[O-]c(ccc(/C=C(/C(N1Cc(cc2)ccc2F)=O)\SC1=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C17H11FN2O5S/c18-12-4-1-10(2-5-12)9-19-16(22)15(26-17(19)23)8-11-3-6-14(21)13(7-11)20(24)25/h1-8,21H,9H2/p-1
InChIK	DLNGYWXTCZQNBJ-UHFFFAOYSA-M
TotalMolweight	373.339
Molweight	373.339
MonoisotopicMass	373.029446
CLogP	0.4159
CLogS	-4.588
H Acceptors	7
TotalSurfaceArea	258.83
Relative PSA	0.35475
PolarSurfaceArea	131.56
Druglikeness	-2.0267
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenolate | 2 - 4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-nitrophenolate

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