MCULE-8849446524-1
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- InChI:
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1
MCULE-5710225015-2
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8849446524-1.sdf |
SMILES | MCULE-8849446524-1.smiles |
Standard InChI | MCULE-8849446524-1.inchi |
InChIKey | MCULE-8849446524-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-611423346 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 387.388 |
logP | 1.491 |
H-bond acceptors | 8 |
H-bond donors | 3 |
Rotatable bonds | 5 |
PSA | 161.09 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 92.6964 |
Atoms | 44 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 18 |
Heteroatoms | 10 |
N/O atoms | 8 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 4 |
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 |