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MCULE-9243891828
Compound
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1
MCULE-4370362098
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9243891828.sdf |
| SMILES | MCULE-9243891828.smiles |
| Standard InChI | MCULE-9243891828.inchi |
| InChIKey | MCULE-9243891828.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-594195412 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 407.457 |
| logP | -0.2248 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 142.56 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 108.2416 |
| Atoms | 58 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 29 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
