MCULE-9234881301
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- SMILES:
- InChI:
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1
MCULE-7806663709
- Component type: Main
-
1
MCULE-9925206507
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9234881301.sdf |
SMILES | MCULE-9234881301.smiles |
Standard InChI | MCULE-9234881301.inchi |
InChIKey | MCULE-9234881301.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 406.585 |
logP | 4.91658 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 43.87 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 122.4104 |
Atoms | 59 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 30 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |