MCULE-3264958284-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-9191403483-0
- Component type: Main
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1
MCULE-2361956978-0
- Component type: Counter Ion
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1
MCULE-5932450224-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3264958284-0.sdf |
SMILES | MCULE-3264958284-0.smiles |
Standard InChI | MCULE-3264958284-0.inchi |
InChIKey | MCULE-3264958284-0.txt |
Property | Value |
---|---|
Components | 3 |
Mass | 258.089 |
logP | 3.1292 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 18.46 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 52.925 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 2 |
Inorganic atoms | 1 |
Halogen atoms | 3 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |