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P-906759927
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| Name | File |
|---|---|
| SDF | P-906759927.sdf |
| SMILES | P-906759927.smiles |
| Standard InChI | P-906759927.inchi |
| InChIKey | P-906759927.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-906759927 | 60 | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1301.558 |
| logP | 2.5499 |
| H-bond acceptors | 33 |
| H-bond donors | 20 |
| Rotatable bonds | 33 |
| PSA | 573.64 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 355.3429 |
| Atoms | 190 |
| Rings | 2 |
| Heavy atoms | 90 |
| Hydrogen atoms | 100 |
| Heteroatoms | 34 |
| N/O atoms | 33 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 13 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 13 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
