5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one
Formula:C18H14NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one is a drug-like molecule.
| MolName | 5-bromo-3-hydroxy-3-[(E)-2-oxo-4-phenylbut-3-enyl]-1H-indol-2-one |
| MolecularFormula | C18H14NO3Br |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(c(cc(cc1)Br)c1N1)C1=O |
| InChI | InChI=1S/C18H14BrNO3/c19-13-7-9-16-15(10-13)18(23,17(22)20-16)11-14(21)8-6-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,20,22)/t18-/m0/s1 |
| InChIK | UTPAHIYYZUPGHZ-SFHVURJKSA-N |
| TotalMolweight | 372.217 |
| Molweight | 372.217 |
| MonoisotopicMass | 371.015705 |
| CLogP | 2.7895 |
| CLogS | -4.439 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 242.13 |
| Relative PSA | 0.20914 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | 2.2687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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