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UNKNOWN STEREO
P-675215991
Product
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| Name | File |
|---|---|
| SDF | P-675215991.sdf |
| SMILES | P-675215991.smiles |
| Standard InChI | P-675215991.inchi |
| InChIKey | P-675215991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675215991 | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 346.340 |
| logP | -0.5897 |
| H-bond acceptors | 12 |
| H-bond donors | 8 |
| Rotatable bonds | 14 |
| PSA | 220.72 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 81.1522 |
| Atoms | 46 |
| Rings | 0 |
| Heavy atoms | 24 |
| Hydrogen atoms | 22 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
