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MCULE-3698902523-3
Structure
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MCULE-5987006506-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3698902523-3.sdf |
| SMILES | MCULE-3698902523-3.smiles |
| Standard InChI | MCULE-3698902523-3.inchi |
| InChIKey | MCULE-3698902523-3.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-888837464 | 95 | As a main component | in stock |
| P-860787683 | N/A | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.986 |
| logP | 0.1757 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 140.34 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 25.8306 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 4 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
