2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid
Formula:C19H14NO5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid |
| MolecularFormula | C19H14NO5F |
| Smiles | OC(CN(C(/C(/C1=O)=C(/c2ccccc2)\O)c(cc2)ccc2F)C1=O)=O |
| InChI | InChI=1S/C19H14FNO5/c20-13-8-6-11(7-9-13)16-15(17(24)12-4-2-1-3-5-12)18(25)19(26)21(16)10-14(22)23/h1-9,16,24H,10H2,(H,22,23)/t16-/m1/s1 |
| InChIK | BLYKBNFUDWEBCE-MRXNPFEDSA-N |
| TotalMolweight | 355.32 |
| Molweight | 355.32 |
| MonoisotopicMass | 355.085602 |
| CLogP | 1.1699 |
| CLogS | -2.237 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 251.3 |
| Relative PSA | 0.27405 |
| PolarSurfaceArea | 94.91 |
| Druglikeness | -6.617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid | 2 - 2-[(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetic acid
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