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MCULE-6912081438
Compound
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| Name | File |
|---|---|
| SDF | MCULE-6912081438.sdf |
| SMILES | MCULE-6912081438.smiles |
| Standard InChI | MCULE-6912081438.inchi |
| InChIKey | MCULE-6912081438.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580410542 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-579714491 | Paragos | In-stock compounds | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 337.401 |
| logP | 3.3337 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 115.05 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 98.6374 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| 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 |
