(3Z)-5-bromo-3-[(3,4-dihydroxyphenyl)methylidene]-1H-indol-2-one
Formula:C15H10NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-5-bromo-3-[(3,4-dihydroxyphenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-5-bromo-3-[(3,4-dihydroxyphenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C15H10NO3Br |
| Smiles | Oc(ccc(/C=C(/c(cc(cc1)Br)c1N1)\C1=O)c1)c1O |
| InChI | InChI=1S/C15H10BrNO3/c16-9-2-3-12-10(7-9)11(15(20)17-12)5-8-1-4-13(18)14(19)6-8/h1-7,18-19H,(H,17,20) |
| InChIK | JLCLRTONUBKGKP-UHFFFAOYSA-N |
| TotalMolweight | 332.152 |
| Molweight | 332.152 |
| MonoisotopicMass | 330.984405 |
| CLogP | 2.2995 |
| CLogS | -3.611 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 204.77 |
| Relative PSA | 0.24759 |
| PolarSurfaceArea | 69.56 |
| Druglikeness | 0.9091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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