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MCULE-4018665132
Compound
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| Name | File |
|---|---|
| SDF | MCULE-4018665132.sdf |
| SMILES | MCULE-4018665132.smiles |
| Standard InChI | MCULE-4018665132.inchi |
| InChIKey | MCULE-4018665132.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489149515 | 97 | As is | in stock |
| P-895348309 | 95 | As is | by synthesis |
| P-596814471 | 95 | As is | by synthesis |
| P-33889757 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 526.239 |
| logP | 8.2094 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 109.1 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 120.7094 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 12 |
| Heteroatoms | 12 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
