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MCULE-4064765684
Compound
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- InChI:
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1
MCULE-1658004966
- Component type: Main
-
2
MCULE-7175589186
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4064765684.sdf |
| SMILES | MCULE-4064765684.smiles |
| Standard InChI | MCULE-4064765684.inchi |
| InChIKey | MCULE-4064765684.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 451.556 |
| logP | 3.0605 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 110.62 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 135.1811 |
| Atoms | 69 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 37 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
