4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Formula:C21H19NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 4-hydroxy-1-(2-hydroxyethyl)-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one |
| MolecularFormula | C21H19NO4 |
| Smiles | OCCN(C(C(C(/C=C/c1ccccc1)=O)=C1O)c2ccccc2)C1=O |
| InChI | InChI=1S/C21H19NO4/c23-14-13-22-19(16-9-5-2-6-10-16)18(20(25)21(22)26)17(24)12-11-15-7-3-1-4-8-15/h1-12,19,23,25H,13-14H2/t19-/m0/s1 |
| InChIK | AVSCAEFNXOINRC-IBGZPJMESA-N |
| TotalMolweight | 349.385 |
| Molweight | 349.385 |
| MonoisotopicMass | 349.131409 |
| CLogP | 1.9244 |
| CLogS | -2.651 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.46 |
| Relative PSA | 0.20874 |
| PolarSurfaceArea | 77.84 |
| Druglikeness | 4.6751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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