4-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid
Formula:C24H17NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid |
| MolecularFormula | C24H17NO5 |
| Smiles | O/C(/c1ccccc1)=C(\C(c1ccccc1)N(C1=O)c(cc2)ccc2C(O)=O)/C1=O |
| InChI | InChI=1S/C24H17NO5/c26-21(16-9-5-2-6-10-16)19-20(15-7-3-1-4-8-15)25(23(28)22(19)27)18-13-11-17(12-14-18)24(29)30/h1-14,20,26H,(H,29,30)/t20-/m0/s1 |
| InChIK | JTVXKAYDJPVQMH-FQEVSTJZSA-N |
| TotalMolweight | 399.401 |
| Molweight | 399.401 |
| MonoisotopicMass | 399.110674 |
| CLogP | 2.9194 |
| CLogS | -4.006 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 290.95 |
| Relative PSA | 0.23671 |
| PolarSurfaceArea | 94.91 |
| Druglikeness | -0.78334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 4-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid | 2 - 4-[(4E)-4-[hydroxy(phenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]benzoic acid
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