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MCULE-5957660930
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-7033793558
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5957660930.sdf |
| SMILES | MCULE-5957660930.smiles |
| Standard InChI | MCULE-5957660930.inchi |
| InChIKey | MCULE-5957660930.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489158021 | 97 | As is | in stock |
| P-1275893616 | 95 | As is | by synthesis |
| P-904222121 | 95 | As is | unavailable |
| P-904238741 | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 331.325 |
| logP | 1.6179 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 148.48 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 77.1621 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 |
