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MCULE-4134449529
Compound
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- InChI:
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1
MCULE-3500673846
- Component type: Main
-
1
MCULE-3643444072
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4134449529.sdf |
| SMILES | MCULE-4134449529.smiles |
| Standard InChI | MCULE-4134449529.inchi |
| InChIKey | MCULE-4134449529.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500241956 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 397.419 |
| logP | 0.4011 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 153.39 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 103.3009 |
| Atoms | 55 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 27 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
