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MCULE-2122866177-1
Structure
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MCULE-6811764677-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2122866177-1.sdf |
| SMILES | MCULE-2122866177-1.smiles |
| Standard InChI | MCULE-2122866177-1.inchi |
| InChIKey | MCULE-2122866177-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899785398 | 97 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 612.619 |
| logP | 4.558 |
| H-bond acceptors | 14 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 158.5 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 159.5928 |
| Atoms | 73 |
| Rings | 4 |
| Heavy atoms | 42 |
| Hydrogen atoms | 31 |
| Heteroatoms | 15 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
