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MCULE-9731294877
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-2678164137
- Component type: Main
-
1
MCULE-4094049864
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9731294877.sdf |
| SMILES | MCULE-9731294877.smiles |
| Standard InChI | MCULE-9731294877.inchi |
| InChIKey | MCULE-9731294877.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 278.307 |
| logP | 1.75758 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 107.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.8747 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 18 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
