MCULE-5645708645
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- SMILES:
- InChI:
- Formula:
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1
MCULE-4288562987
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5645708645.sdf |
SMILES | MCULE-5645708645.smiles |
Standard InChI | MCULE-5645708645.inchi |
InChIKey | MCULE-5645708645.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33404699 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
P-33404680 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
P-33254589 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
P-33404686 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 400.578 |
logP | 4.7949 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 13 |
PSA | 98.56 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 111.5116 |
Atoms | 63 |
Rings | 1 |
Heavy atoms | 27 |
Hydrogen atoms | 36 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |