MCULE-6790683203-0
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- InChI:
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1
MCULE-3129415432-0
- Component type: Main
-
1
MCULE-5726619687-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6790683203-0.sdf |
SMILES | MCULE-6790683203-0.smiles |
Standard InChI | MCULE-6790683203-0.inchi |
InChIKey | MCULE-6790683203-0.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 321.336 |
logP | 0.585 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 2 |
PSA | 134.65 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 87.7419 |
Atoms | 40 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 20 |
Heteroatoms | 9 |
N/O atoms | 7 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |