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P-888661048
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| Name | File |
|---|---|
| SDF | P-888661048.sdf |
| SMILES | P-888661048.smiles |
| Standard InChI | P-888661048.inchi |
| InChIKey | P-888661048.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888661048 | TargetMol | Screening Compounds | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 718.611 |
| logP | 3.3345 |
| H-bond acceptors | 16 |
| H-bond donors | 9 |
| Rotatable bonds | 14 |
| PSA | 278.04 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 178.0686 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 52 |
| Hydrogen atoms | 30 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
