MCULE-1399854231-0
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- InChI:
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1
MCULE-1113222985-0
- Component type: Counter Ion
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1
MCULE-3163788266-0
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-1399854231-0.sdf |
SMILES | MCULE-1399854231-0.smiles |
Standard InChI | MCULE-1399854231-0.inchi |
InChIKey | MCULE-1399854231-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489157721 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 169.901 |
logP | -2.9601 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 80.26 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 20.527 |
Atoms | 11 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 2 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
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 |