MCULE-6567855829
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1
MCULE-6243921692
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6567855829.sdf |
SMILES | MCULE-6567855829.smiles |
Standard InChI | MCULE-6567855829.inchi |
InChIKey | MCULE-6567855829.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-505492224 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
P-611500068 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 397.359 |
logP | 0.5104 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 1 |
PSA | 129.5 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 101.0027 |
Atoms | 51 |
Rings | 5 |
Heavy atoms | 27 |
Hydrogen atoms | 24 |
Heteroatoms | 9 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 5 |
R/S chiral centers | 5 |
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 |