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P-856013138
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| Name | File |
|---|---|
| SDF | P-856013138.sdf |
| SMILES | P-856013138.smiles |
| Standard InChI | P-856013138.inchi |
| InChIKey | P-856013138.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-856013138 | 90 | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 318.493 |
| logP | 4.5952 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 95.4468 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 34 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
