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P-580452440
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| Name | File |
|---|---|
| SDF | P-580452440.sdf |
| SMILES | P-580452440.smiles |
| Standard InChI | P-580452440.inchi |
| InChIKey | P-580452440.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580452440 | CliniSciences S.A.S | All products | 98 | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 885.229 |
| logP | 10.3474 |
| H-bond acceptors | 14 |
| H-bond donors | 6 |
| Rotatable bonds | 30 |
| PSA | 230.64 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 247.2506 |
| Atoms | 136 |
| Rings | 2 |
| Heavy atoms | 60 |
| Hydrogen atoms | 76 |
| Heteroatoms | 16 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
