MCULE-6330853492-0
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- SMILES:
- InChI:
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1
MCULE-4303766377-0
- Component type: Main
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1
MCULE-6572487779-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6330853492-0.sdf |
SMILES | MCULE-6330853492-0.smiles |
Standard InChI | MCULE-6330853492-0.inchi |
InChIKey | MCULE-6330853492-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33381950 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 461.015 |
logP | 5.9632 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 11 |
PSA | 109.89 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 122.1065 |
Atoms | 63 |
Rings | 2 |
Heavy atoms | 30 |
Hydrogen atoms | 33 |
Heteroatoms | 9 |
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 |