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MCULE-1703167013
Compound
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- InChIKey:
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- InChI:
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MCULE-9592219559
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1703167013.sdf |
| SMILES | MCULE-1703167013.smiles |
| Standard InChI | MCULE-1703167013.inchi |
| InChIKey | MCULE-1703167013.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-131611736 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
| P-33964785 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-23222009 | TimTec | ActiMol 3 Week | 90 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 298.418 |
| logP | 4.5105 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 89.341 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 26 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
