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P-904063568
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| Name | File |
|---|---|
| SDF | P-904063568.sdf |
| SMILES | P-904063568.smiles |
| Standard InChI | P-904063568.inchi |
| InChIKey | P-904063568.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904063568 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 858.328 |
| logP | 6.8382 |
| H-bond acceptors | 16 |
| H-bond donors | 8 |
| Rotatable bonds | 19 |
| PSA | 239.85 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 234.6052 |
| Atoms | 109 |
| Rings | 6 |
| Heavy atoms | 61 |
| Hydrogen atoms | 48 |
| Heteroatoms | 17 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
