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MCULE-4954291576
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-9042439743
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4954291576.sdf |
| SMILES | MCULE-4954291576.smiles |
| Standard InChI | MCULE-4954291576.inchi |
| InChIKey | MCULE-4954291576.txt |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 535.586 |
| logP | 0.0335 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 282.9 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 121.7646 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 14 |
| Heteroatoms | 17 |
| N/O atoms | 12 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
