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UNKNOWN STEREO
MCULE-5838708767
Compound
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- InChIKey:
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- InChI:
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MCULE-3422935450
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5838708767.sdf |
| SMILES | MCULE-5838708767.smiles |
| Standard InChI | MCULE-5838708767.inchi |
| InChIKey | MCULE-5838708767.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855297855 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 358.351 |
| logP | -0.1831 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 12 |
| PSA | 193.8 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 81.8973 |
| Atoms | 45 |
| Rings | 0 |
| Heavy atoms | 22 |
| Hydrogen atoms | 23 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
