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MCULE-5906077990
Compound
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- InChIKey:
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- InChI:
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MCULE-1415111979
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5906077990.sdf |
| SMILES | MCULE-5906077990.smiles |
| Standard InChI | MCULE-5906077990.inchi |
| InChIKey | MCULE-5906077990.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33296966 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.202 |
| logP | 4.0928 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 174.99 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 82.6517 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 7 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
