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MCULE-5780117376
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-2755618668
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5780117376.sdf |
| SMILES | MCULE-5780117376.smiles |
| Standard InChI | MCULE-5780117376.inchi |
| InChIKey | MCULE-5780117376.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 421.448 |
| logP | 2.9484 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 122.27 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 115.0983 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
