2-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
Formula:C19H13NO5ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid |
| MolecularFormula | C19H13NO5ClF |
| Smiles | OC(CN(C(/C(/C1=O)=C(/c(cc2)ccc2Cl)\O)c(cccc2)c2F)C1=O)=O |
| InChI | InChI=1S/C19H13ClFNO5/c20-11-7-5-10(6-8-11)17(25)15-16(12-3-1-2-4-13(12)21)22(9-14(23)24)19(27)18(15)26/h1-8,16,25H,9H2,(H,23,24)/t16-/m1/s1 |
| InChIK | NXTRXUFFJMAMTF-MRXNPFEDSA-N |
| TotalMolweight | 389.765 |
| Molweight | 389.765 |
| MonoisotopicMass | 389.046629 |
| CLogP | 1.7759 |
| CLogS | -2.973 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 266.72 |
| Relative PSA | 0.25821 |
| PolarSurfaceArea | 94.91 |
| Druglikeness | -6.5692 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid | 2 - 2-[(3E)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
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