MCULE-9474213990-0
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- SMILES:
- InChI:
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1
MCULE-3907214314-0
- Component type: Main
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1
MCULE-7981253226-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9474213990-0.sdf |
SMILES | MCULE-9474213990-0.smiles |
Standard InChI | MCULE-9474213990-0.inchi |
InChIKey | MCULE-9474213990-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33404567 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 609.686 |
logP | 3.3148 |
H-bond acceptors | 12 |
H-bond donors | 4 |
Rotatable bonds | 18 |
PSA | 205.43 |
RO5 violations | 2 |
RO3 violations | 6 |
Refractivity | 156.5782 |
Atoms | 81 |
Rings | 2 |
Heavy atoms | 42 |
Hydrogen atoms | 39 |
Heteroatoms | 13 |
N/O atoms | 12 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |