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MCULE-9675100119
Compound
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| Name | File |
|---|---|
| SDF | MCULE-9675100119.sdf |
| SMILES | MCULE-9675100119.smiles |
| Standard InChI | MCULE-9675100119.inchi |
| InChIKey | MCULE-9675100119.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-22885872 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 120.108 |
| logP | -2.2505 |
| H-bond acceptors | 5 |
| H-bond donors | 5 |
| Rotatable bonds | 0 |
| PSA | 84.75 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 31.3398 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
