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MCULE-5956889062
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-4041453001
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-5956889062.sdf |
| SMILES | MCULE-5956889062.smiles |
| Standard InChI | MCULE-5956889062.inchi |
| InChIKey | MCULE-5956889062.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855245246 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 6 |
| Mass | 2017.960 |
| logP | 19.9408 |
| H-bond acceptors | 37 |
| H-bond donors | 15 |
| Rotatable bonds | 23 |
| PSA | 572.84 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 558.2031 |
| Atoms | 235 |
| Rings | 21 |
| Heavy atoms | 151 |
| Hydrogen atoms | 84 |
| Heteroatoms | 37 |
| N/O atoms | 37 |
| 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 |
