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P-33331968
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| Name | File |
|---|---|
| SDF | P-33331968.sdf |
| SMILES | P-33331968.smiles |
| Standard InChI | P-33331968.inchi |
| InChIKey | P-33331968.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33331968 | TimTec | ActiMol 2 Week | 90 | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 822.940 |
| logP | 4.1038 |
| H-bond acceptors | 14 |
| H-bond donors | 6 |
| Rotatable bonds | 9 |
| PSA | 205.72 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 231.7506 |
| Atoms | 114 |
| Rings | 10 |
| Heavy atoms | 60 |
| Hydrogen atoms | 54 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
