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MCULE-9605845580
Compound
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| Name | File |
|---|---|
| SDF | MCULE-9605845580.sdf |
| SMILES | MCULE-9605845580.smiles |
| Standard InChI | MCULE-9605845580.inchi |
| InChIKey | MCULE-9605845580.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489237348 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 534.680 |
| logP | 3.1102 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 114.68 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 140.7094 |
| Atoms | 84 |
| Rings | 6 |
| Heavy atoms | 38 |
| Hydrogen atoms | 46 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 13 |
| R/S chiral centers | 13 |
| 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 |
