MCULE-5833375987-0
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- InChI:
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1
MCULE-7844973694-0
- Component type: Main
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1
MCULE-1858636187-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5833375987-0.sdf |
SMILES | MCULE-5833375987-0.smiles |
Standard InChI | MCULE-5833375987-0.inchi |
InChIKey | MCULE-5833375987-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-25838732 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
P-25838694 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
P-852509551 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 811.441 |
logP | 12.9125 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 14 |
PSA | 91.44 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 247.891 |
Atoms | 114 |
Rings | 8 |
Heavy atoms | 59 |
Hydrogen atoms | 55 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |