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UNKNOWN STEREO
P-869108538
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- InChIKey:
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- InChI:
- Formula:
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| Name | File |
|---|---|
| SDF | P-869108538.sdf |
| SMILES | P-869108538.smiles |
| Standard InChI | P-869108538.inchi |
| InChIKey | P-869108538.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869108538 | TargetMol | Screening Compounds - synthesis | 95 | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1416.060 |
| logP | 6.0246 |
| H-bond acceptors | 28 |
| H-bond donors | 13 |
| Rotatable bonds | 48 |
| PSA | 424.98 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 380.4959 |
| Atoms | 196 |
| Rings | 6 |
| Heavy atoms | 101 |
| Hydrogen atoms | 95 |
| Heteroatoms | 29 |
| N/O atoms | 28 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
