(4E,5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Formula:C20H12N3O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (4E,5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.

MolName	(4E,5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
MolecularFormula	C20H12N3O5FS
Smiles	[O-][N+](c(cc1)ccc1/C(/O)=C(/[C@H](c(cccc1)c1F)N(C1=O)c2nccs2)\C1=O)=O
InChI	InChI=1S/C20H12FN3O5S/c21-14-4-2-1-3-13(14)16-15(17(25)11-5-7-12(8-6-11)24(28)29)18(26)19(27)23(16)20-22-9-10-30-20/h1-10,16,25H/t16-/m0/s1
InChIK	ZZBCCMFFRXBJSD-INIZCTEOSA-N
TotalMolweight	425.395
Molweight	425.395
MonoisotopicMass	425.04817
CLogP	2.2388
CLogS	-4.5
H Acceptors	8
H Donors	1
TotalSurfaceArea	291.57
Relative PSA	0.35834
PolarSurfaceArea	144.56
Druglikeness	-6.2119
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - (4E,5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione | 2 - (4E,5R)-5-(2-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

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