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MCULE-1115640012-0
Structure
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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3
MCULE-6786072697-0
- Component type: Main
-
1
MCULE-5726619687-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1115640012-0.sdf |
| SMILES | MCULE-1115640012-0.smiles |
| Standard InChI | MCULE-1115640012-0.inchi |
| InChIKey | MCULE-1115640012-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-580377100 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-580377104 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 4 |
| Mass | 1958.513 |
| logP | 46.9949 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 117 |
| PSA | 96.06 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 643.2342 |
| Atoms | 407 |
| Rings | 0 |
| Heavy atoms | 137 |
| Hydrogen atoms | 270 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
