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

Formula:C19H13N2O7F Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid is a drug-like molecule.

MolName	2-[(3E)-2-(2-fluorophenyl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid
MolecularFormula	C19H13N2O7F
Smiles	[O-][N+](c(cc1)ccc1/C(/O)=C(/C(c(cccc1)c1F)N(CC(O)=O)C1=O)\C1=O)=O
InChI	InChI=1S/C19H13FN2O7/c20-13-4-2-1-3-12(13)16-15(18(26)19(27)21(16)9-14(23)24)17(25)10-5-7-11(8-6-10)22(28)29/h1-8,16,25H,9H2,(H,23,24)/t16-/m1/s1
InChIK	BRAIYFOCVMHTSA-MRXNPFEDSA-N
TotalMolweight	400.317
Molweight	400.317
MonoisotopicMass	400.070681
CLogP	0.2483
CLogS	-2.697
H Acceptors	9
H Donors	2
TotalSurfaceArea	274.97
Relative PSA	0.36109
PolarSurfaceArea	140.73
Druglikeness	-11.67
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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

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