4-[(2R,3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

Formula:C21H17N2O7F Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(2R,3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid is a drug-like molecule.

MolName	4-[(2R,3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
MolecularFormula	C21H17N2O7F
Smiles	[O-][N+](c(cc1)ccc1/C(/O)=C(/[C@@H](c(cc1)ccc1F)N(CCCC(O)=O)C1=O)\C1=O)=O
InChI	InChI=1S/C21H17FN2O7/c22-14-7-3-12(4-8-14)18-17(19(27)13-5-9-15(10-6-13)24(30)31)20(28)21(29)23(18)11-1-2-16(25)26/h3-10,18,27H,1-2,11H2,(H,25,26)/t18-/m1/s1
InChIK	YKJNMESZUNJTKK-GOSISDBHSA-N
TotalMolweight	428.371
Molweight	428.371
MonoisotopicMass	428.101981
CLogP	1.1571
CLogS	-3.237
H Acceptors	9
H Donors	2
TotalSurfaceArea	302.49
Relative PSA	0.32824
PolarSurfaceArea	140.73
Druglikeness	-6.8042
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon	this enantiomer

Click to Load Molecule:

1 - 4-[(2R,3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid | 2 - 4-[(2R,3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

Request More Details | 4-[(2R,3E)-2-(4-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments