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MCULE-3539994808
Compound
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- InChIKey:
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- InChI:
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MCULE-6530213715
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3539994808.sdf |
| SMILES | MCULE-3539994808.smiles |
| Standard InChI | MCULE-3539994808.inchi |
| InChIKey | MCULE-3539994808.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580444006 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-870652706 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-611450156 | Toronto Research | In stock | 90 | As is | in stock |
| P-611481869 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 365.468 |
| logP | 4.04318 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 65.36 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.3042 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 27 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
