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MCULE-7578803607
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-5477498023
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7578803607.sdf |
| SMILES | MCULE-7578803607.smiles |
| Standard InChI | MCULE-7578803607.inchi |
| InChIKey | MCULE-7578803607.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 257.260 |
| logP | 0.8273 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 69.23 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.0812 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
