5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one
Formula:C26H22NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one is a drug-like molecule.
| MolName | 5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one |
| MolecularFormula | C26H22NO3Br |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(c(cc(cc1)Br)c1N1CCc2ccccc2)C1=O |
| InChI | InChI=1S/C26H22BrNO3/c27-21-12-14-24-23(17-21)26(31,18-22(29)13-11-19-7-3-1-4-8-19)25(30)28(24)16-15-20-9-5-2-6-10-20/h1-14,17,31H,15-16,18H2/t26-/m0/s1 |
| InChIK | UWXIHMBOFMWZGZ-SANMLTNESA-N |
| TotalMolweight | 476.369 |
| Molweight | 476.369 |
| MonoisotopicMass | 475.078305 |
| CLogP | 4.996 |
| CLogS | -5.85 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 328.25 |
| Relative PSA | 0.13018 |
| PolarSurfaceArea | 57.61 |
| Druglikeness | 3.7588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| 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 - 5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one | 2 - 5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1-(2-phenylethyl)indol-2-one
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