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P-503539773
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| Name | File |
|---|---|
| SDF | P-503539773.sdf |
| SMILES | P-503539773.smiles |
| Standard InChI | P-503539773.inchi |
| InChIKey | P-503539773.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-503539773 | Innovapharm | Virtual Screening Compounds | 90 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 447.611 |
| logP | 6.0878 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 56.15 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 135.5117 |
| Atoms | 70 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 37 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
