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MCULE-2497720029
Compound
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- InChIKey:
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- InChI:
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1
MCULE-1336748609
- Component type: Counter Ion
-
1
MCULE-5574440784
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-2497720029.sdf |
| SMILES | MCULE-2497720029.smiles |
| Standard InChI | MCULE-2497720029.inchi |
| InChIKey | MCULE-2497720029.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893109032 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 222.235 |
| logP | 0.0755 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 115.06 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 53.3582 |
| Atoms | 33 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
