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MCULE-7773701090
Compound
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- InChIKey:
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- InChI:
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1
MCULE-4407246631
- Component type: Main
-
1
MCULE-6692975244
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7773701090.sdf |
| SMILES | MCULE-7773701090.smiles |
| Standard InChI | MCULE-7773701090.inchi |
| InChIKey | MCULE-7773701090.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489186458 | 97 | As is | in stock |
| P-870654159 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 816.582 |
| logP | 3.396 |
| H-bond acceptors | 21 |
| H-bond donors | 6 |
| Rotatable bonds | 16 |
| PSA | 334.94 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 188.7699 |
| Atoms | 93 |
| Rings | 5 |
| Heavy atoms | 54 |
| Hydrogen atoms | 39 |
| Heteroatoms | 24 |
| N/O atoms | 21 |
| 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 |
