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MCULE-4554147373
Compound
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- InChIKey:
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- InChI:
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MCULE-6434768808
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4554147373.sdf |
| SMILES | MCULE-4554147373.smiles |
| Standard InChI | MCULE-4554147373.inchi |
| InChIKey | MCULE-4554147373.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500246163 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-500228456 | Diverchim | Diverchim General Catalog | N/A | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 518.780 |
| logP | 5.8967 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 10 |
| PSA | 95.28 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 122.75 |
| Atoms | 56 |
| Rings | 2 |
| Heavy atoms | 31 |
| Hydrogen atoms | 25 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
