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MCULE-3360019579
Compound
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MCULE-8751290589
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3360019579.sdf |
| SMILES | MCULE-3360019579.smiles |
| Standard InChI | MCULE-3360019579.inchi |
| InChIKey | MCULE-3360019579.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892267095 | 95 | As is | unavailable |
| P-892346858 | 95 | As is | unavailable |
| P-1267002878 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 517.475 |
| logP | 6.1952 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 101.52 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 126.4658 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 7 |
| 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 |
