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P-904238648
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| Name | File |
|---|---|
| SDF | P-904238648.sdf |
| SMILES | P-904238648.smiles |
| Standard InChI | P-904238648.inchi |
| InChIKey | P-904238648.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-904238648 | TargetMol | Screening Compounds - stock amount | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 756.569 |
| logP | 4.0548 |
| H-bond acceptors | 18 |
| H-bond donors | 10 |
| Rotatable bonds | 12 |
| PSA | 345.92 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 185.8734 |
| Atoms | 92 |
| Rings | 3 |
| Heavy atoms | 49 |
| Hydrogen atoms | 43 |
| Heteroatoms | 22 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
