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MCULE-3368413591-0
Structure
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- InChIKey:
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- InChI:
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MCULE-1392511103-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3368413591-0.sdf |
| SMILES | MCULE-3368413591-0.smiles |
| Standard InChI | MCULE-3368413591-0.inchi |
| InChIKey | MCULE-3368413591-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580452531 | 98 | As is | in stock |
| P-854704412 | 95 | As is | by synthesis |
| P-892248157 | 95 | As is | unavailable |
| P-892334532 | 95 | As is | unavailable |
| P-489168231 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 123.091 |
| logP | 0.5025 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 86.79 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 29.4057 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
