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P-1275097586
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| Name | File |
|---|---|
| SDF | P-1275097586.sdf |
| SMILES | P-1275097586.smiles |
| Standard InChI | P-1275097586.inchi |
| InChIKey | P-1275097586.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275097586 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 688.761 |
| logP | 4.9572 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 17 |
| PSA | 219.7 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 187.083 |
| Atoms | 94 |
| Rings | 4 |
| Heavy atoms | 50 |
| Hydrogen atoms | 44 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
