MCULE-8486012151
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- SMILES:
- InChI:
- Formula:
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1
MCULE-3939671067
- Component type: Main
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2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8486012151.sdf |
SMILES | MCULE-8486012151.smiles |
Standard InChI | MCULE-8486012151.inchi |
InChIKey | MCULE-8486012151.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-611471866 | Toronto Research | In stock | 90 | As is | in stock |
P-855011754 | Toronto Research | In stock | 90 | Main component | in stock |
P-855011753 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 665.596 |
logP | 4.9998 |
H-bond acceptors | 12 |
H-bond donors | 0 |
Rotatable bonds | 21 |
PSA | 114.46 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 170.459 |
Atoms | 90 |
Rings | 2 |
Heavy atoms | 44 |
Hydrogen atoms | 46 |
Heteroatoms | 14 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |