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MCULE-6502772457
Compound
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1
MCULE-7981253226
- Component type: Counter Ion
-
1
MCULE-9686682307
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6502772457.sdf |
| SMILES | MCULE-6502772457.smiles |
| Standard InChI | MCULE-6502772457.inchi |
| InChIKey | MCULE-6502772457.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893174199 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-33255829 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 343.372 |
| logP | 1.3657 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 158.15 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 84.0586 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 25 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
