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MCULE-6700754360
Compound
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- InChIKey:
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- InChI:
- Formula:
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1
MCULE-8053996750
- Component type: Main
-
2
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6700754360.sdf |
| SMILES | MCULE-6700754360.smiles |
| Standard InChI | MCULE-6700754360.inchi |
| InChIKey | MCULE-6700754360.txt |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 528.553 |
| logP | 2.2601 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 182.29 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 138.8129 |
| Atoms | 70 |
| Rings | 3 |
| Heavy atoms | 38 |
| Hydrogen atoms | 32 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
