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P-504530616
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| Name | File |
|---|---|
| SDF | P-504530616.sdf |
| SMILES | P-504530616.smiles |
| Standard InChI | P-504530616.inchi |
| InChIKey | P-504530616.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-504530616 | Innovapharm | Virtual Screening Compounds | 90 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.510 |
| logP | 4.4598 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 92.23 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 115.3337 |
| Atoms | 53 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
