3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-(2-phenylethyl)indol-2-one
Formula:C28H25NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-(2-phenylethyl)indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-(2-phenylethyl)indol-2-one |
| MolecularFormula | C28H25NO3 |
| Smiles | OC(CC(/C=C/C=C/c1ccccc1)=O)(c(cccc1)c1N1CCc2ccccc2)C1=O |
| InChI | InChI=1S/C28H25NO3/c30-24(16-8-7-15-22-11-3-1-4-12-22)21-28(32)25-17-9-10-18-26(25)29(27(28)31)20-19-23-13-5-2-6-14-23/h1-18,32H,19-21H2/t28-/m0/s1 |
| InChIK | KELNNHYHNPIZMZ-NDEPHWFRSA-N |
| TotalMolweight | 423.511 |
| Molweight | 423.511 |
| MonoisotopicMass | 423.183444 |
| CLogP | 4.9274 |
| CLogS | -5.328 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 336.12 |
| Relative PSA | 0.12713 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 5.6847 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-(2-phenylethyl)indol-2-one | 2 - 3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1-(2-phenylethyl)indol-2-one
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