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MCULE-2425945192
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-3774198180
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2425945192.sdf |
| SMILES | MCULE-2425945192.smiles |
| Standard InChI | MCULE-2425945192.inchi |
| InChIKey | MCULE-2425945192.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904223417 | 95 | As is | unavailable |
| P-904239391 | 95 | As is | unavailable |
| P-611523327 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 286.282 |
| logP | 1.1096 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 98.99 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 85.4133 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
