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MCULE-3459352468-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-1753636126-0
- Component type: Main
-
1
MCULE-1568229930-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3459352468-0.sdf |
| SMILES | MCULE-3459352468-0.smiles |
| Standard InChI | MCULE-3459352468-0.inchi |
| InChIKey | MCULE-3459352468-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489242285 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1192.338 |
| logP | 1.8787 |
| H-bond acceptors | 26 |
| H-bond donors | 7 |
| Rotatable bonds | 22 |
| PSA | 365.87 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 294.0446 |
| Atoms | 176 |
| Rings | 4 |
| Heavy atoms | 83 |
| Hydrogen atoms | 93 |
| Heteroatoms | 26 |
| N/O atoms | 26 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 23 |
| R/S chiral centers | 23 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
