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P-899991830
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| Name | File |
|---|---|
| SDF | P-899991830.sdf |
| SMILES | P-899991830.smiles |
| Standard InChI | P-899991830.inchi |
| InChIKey | P-899991830.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-899991830 | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 455.424 |
| logP | 0.9516 |
| H-bond acceptors | 13 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 204.49 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 116.8199 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 21 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
