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MCULE-4367170663
Compound
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- InChIKey:
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- InChI:
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1
MCULE-2390217155
- Component type: Main
-
1
MCULE-7907563410
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4367170663.sdf |
| SMILES | MCULE-4367170663.smiles |
| Standard InChI | MCULE-4367170663.inchi |
| InChIKey | MCULE-4367170663.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852103579 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 325.418 |
| logP | -3.8538 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 134.63 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 32.5868 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 4 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 1 |
| 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 |
