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UNKNOWN STEREO
P-888643085
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-888643085.sdf |
| SMILES | P-888643085.smiles |
| Standard InChI | P-888643085.inchi |
| InChIKey | P-888643085.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888643085 | TargetMol | Screening Compounds - stock amount | 95 | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1209.326 |
| logP | 12.728 |
| H-bond acceptors | 22 |
| H-bond donors | 10 |
| Rotatable bonds | 28 |
| PSA | 314.66 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 312.348 |
| Atoms | 152 |
| Rings | 8 |
| Heavy atoms | 84 |
| Hydrogen atoms | 68 |
| Heteroatoms | 24 |
| N/O atoms | 18 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
