4,6-dichloro-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
Formula:C20H15NO3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4,6-dichloro-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one is a drug-like molecule.
| MolName | 4,6-dichloro-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one |
| MolecularFormula | C20H15NO3Cl2 |
| Smiles | OC(CC(/C=C/C=C/c1ccccc1)=O)(c(c(N1)cc(Cl)c2)c2Cl)C1=O |
| InChI | InChI=1S/C20H15Cl2NO3/c21-14-10-16(22)18-17(11-14)23-19(25)20(18,26)12-15(24)9-5-4-8-13-6-2-1-3-7-13/h1-11,26H,12H2,(H,23,25)/t20-/m0/s1 |
| InChIK | DFFYMGJXSOXIDH-FQEVSTJZSA-N |
| TotalMolweight | 388.249 |
| Molweight | 388.249 |
| MonoisotopicMass | 387.042898 |
| CLogP | 3.9329 |
| CLogS | -5.389 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 280.84 |
| Relative PSA | 0.18032 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 4.2823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 - 4,6-dichloro-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one | 2 - 4,6-dichloro-3-hydroxy-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
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