(3E)-3-[(2-bromophenyl)methylidene]-5-chloro-1H-indol-2-one
Formula:C15H9NOBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(2-bromophenyl)methylidene]-5-chloro-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(2-bromophenyl)methylidene]-5-chloro-1H-indol-2-one |
| MolecularFormula | C15H9NOBrCl |
| Smiles | O=C1Nc(ccc(Cl)c2)c2/C1=C\c(cccc1)c1Br |
| InChI | InChI=1S/C15H9BrClNO/c16-13-4-2-1-3-9(13)7-12-11-8-10(17)5-6-14(11)18-15(12)19/h1-8H,(H,18,19) |
| InChIK | BJFZWGQSBSNSRS-UHFFFAOYSA-N |
| TotalMolweight | 334.599 |
| Molweight | 334.599 |
| MonoisotopicMass | 332.955602 |
| CLogP | 3.5969 |
| CLogS | -4.939 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 207.49 |
| Relative PSA | 0.11808 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.95914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
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