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MCULE-6460226935-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-8917344355-1
- Component type: Counter Ion
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1
MCULE-9426863055-1
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6460226935-0.sdf |
| SMILES | MCULE-6460226935-0.smiles |
| Standard InChI | MCULE-6460226935-0.inchi |
| InChIKey | MCULE-6460226935-0.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 422.346 |
| logP | 5.0171 |
| H-bond acceptors | 13 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 195.59 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 112.7709 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 18 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| 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 |
