4-hydroxy-1,2-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Formula:C25H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-1,2-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 4-hydroxy-1,2-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one |
| MolecularFormula | C25H19NO3 |
| Smiles | OC(C(N(C1c2ccccc2)c2ccccc2)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C25H19NO3/c27-21(17-16-18-10-4-1-5-11-18)22-23(19-12-6-2-7-13-19)26(25(29)24(22)28)20-14-8-3-9-15-20/h1-17,23,28H/t23-/m0/s1 |
| InChIK | QAYDGLVIHSWMJY-QHCPKHFHSA-N |
| TotalMolweight | 381.43 |
| Molweight | 381.43 |
| MonoisotopicMass | 381.136494 |
| CLogP | 3.94 |
| CLogS | -4.703 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.35 |
| Relative PSA | 0.14566 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 3.387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 4-hydroxy-1,2-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one | 2 - 4-hydroxy-1,2-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
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