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P-505513567
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| Name | File |
|---|---|
| SDF | P-505513567.sdf |
| SMILES | P-505513567.smiles |
| Standard InChI | P-505513567.inchi |
| InChIKey | P-505513567.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-505513567 | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 397.628 |
| logP | -1.6561 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 128.84 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 79.06 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 19 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 9 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 9 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
