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P-890850013
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| Name | File |
|---|---|
| SDF | P-890850013.sdf |
| SMILES | P-890850013.smiles |
| Standard InChI | P-890850013.inchi |
| InChIKey | P-890850013.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890850013 | Innovapharm | Building Blocks | 95 | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1202.611 |
| logP | 4.1495 |
| H-bond acceptors | 23 |
| H-bond donors | 5 |
| Rotatable bonds | 15 |
| PSA | 278.8 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 375.4656 |
| Atoms | 196 |
| Rings | 1 |
| Heavy atoms | 85 |
| Hydrogen atoms | 111 |
| Heteroatoms | 23 |
| N/O atoms | 23 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 12 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 12 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
