3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
Formula:C20H17NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one |
| MolecularFormula | C20H17NO3 |
| Smiles | OC(CC(/C=C/C=C/c1ccccc1)=O)(c(cccc1)c1N1)C1=O |
| InChI | InChI=1S/C20H17NO3/c22-16(11-5-4-10-15-8-2-1-3-9-15)14-20(24)17-12-6-7-13-18(17)21-19(20)23/h1-13,24H,14H2,(H,21,23)/t20-/m0/s1 |
| InChIK | MZIDKDPPIHIDQR-FQEVSTJZSA-N |
| TotalMolweight | 319.359 |
| Molweight | 319.359 |
| MonoisotopicMass | 319.120844 |
| CLogP | 2.7209 |
| CLogS | -3.917 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 250 |
| Relative PSA | 0.20256 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 4.2201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one | 2 - 3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
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