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MCULE-3433487796
Compound
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- InChI:
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1
MCULE-5521210652
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3433487796.sdf |
| SMILES | MCULE-3433487796.smiles |
| Standard InChI | MCULE-3433487796.inchi |
| InChIKey | MCULE-3433487796.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-579715674 | Paragos | In-stock compounds | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 433.446 |
| logP | 3.2934 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 85.52 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 114.4871 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
