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MCULE-9154038750
Compound
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| Name | File |
|---|---|
| SDF | MCULE-9154038750.sdf |
| SMILES | MCULE-9154038750.smiles |
| Standard InChI | MCULE-9154038750.inchi |
| InChIKey | MCULE-9154038750.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580450398 | CliniSciences S.A.S | All products | 99 | As an isomer | in stock |
| P-611416702 | Toronto Research | In stock | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.846 |
| logP | 4.738 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 3.24 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 85.153 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 26 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
