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P-619305617
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| Name | File |
|---|---|
| SDF | P-619305617.sdf |
| SMILES | P-619305617.smiles |
| Standard InChI | P-619305617.inchi |
| InChIKey | P-619305617.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619305617 | ChemDiv | Discovery Chemistry Library | 90 | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 673.822 |
| logP | 3.31 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 180.96 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 187.029 |
| Atoms | 94 |
| Rings | 7 |
| Heavy atoms | 47 |
| Hydrogen atoms | 47 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 7 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
