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UNKNOWN STEREO
P-854979519
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| Name | File |
|---|---|
| SDF | P-854979519.sdf |
| SMILES | P-854979519.smiles |
| Standard InChI | P-854979519.inchi |
| InChIKey | P-854979519.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854979519 | Toronto Research | In stock | 90 | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 323.151 |
| logP | -0.443 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 164.36 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 56.2698 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
