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MCULE-1505905174
Compound
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- InChIKey:
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- InChI:
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1
MCULE-8525455478
- Component type: Main
-
1
MCULE-7981253226
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1505905174.sdf |
| SMILES | MCULE-1505905174.smiles |
| Standard InChI | MCULE-1505905174.inchi |
| InChIKey | MCULE-1505905174.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33405140 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 562.761 |
| logP | 4.3229 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 22 |
| PSA | 189.77 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 155.8219 |
| Atoms | 88 |
| Rings | 1 |
| Heavy atoms | 38 |
| Hydrogen atoms | 50 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| 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 |
