MCULE-4171669804-0
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- SMILES:
- InChI:
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1
MCULE-4667343679-0
- Component type: Main
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1
MCULE-2361956978-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4171669804-0.sdf |
SMILES | MCULE-4171669804-0.smiles |
Standard InChI | MCULE-4171669804-0.inchi |
InChIKey | MCULE-4171669804-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489106546 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 236.922 |
logP | 3.5553 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 61.19 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 48.9104 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 4 |
Heteroatoms | 10 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |