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MCULE-7289384245
Compound
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- InChIKey:
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- InChI:
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1
MCULE-7558233438
- Component type: Main
-
2
MCULE-2199051150
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7289384245.sdf |
| SMILES | MCULE-7289384245.smiles |
| Standard InChI | MCULE-7289384245.inchi |
| InChIKey | MCULE-7289384245.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500377673 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 495.570 |
| logP | 3.5713 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 152.48 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 152.2547 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 33 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| 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 |
