MCULE-7245694496-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-8479412024-0
- Component type: Counter Ion
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MCULE-8558000325-0
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MCULE-3810271429-0
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MCULE-9632258029-0
- Component type: Counter Ion
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MCULE-6277671310-0
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MCULE-4330692025-0
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MCULE-1462602937-0
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MCULE-8088950138-0
- Component type: Counter Ion
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MCULE-4457222064-0
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MCULE-1539914006-0
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MCULE-8438371888-0
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MCULE-7689666732-0
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MCULE-6226535994-0
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MCULE-7029956312-0
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MCULE-4973059418-0
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MCULE-8927617860-0
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MCULE-5114048001-0
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MCULE-1106531775-0
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MCULE-9959209690-0
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MCULE-1635018866-0
- Component type: Counter Ion
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MCULE-4933227820-0
- Component type: Counter Ion
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- Component type: Counter Ion
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MCULE-9540231261-0
- Component type: Counter Ion
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MCULE-1495380609-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7245694496-0.sdf |
SMILES | MCULE-7245694496-0.smiles |
Standard InChI | MCULE-7245694496-0.inchi |
InChIKey | MCULE-7245694496-0.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 111.100 |
logP | 0.1738 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 74.81 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 16.6904 |
Atoms | 9 |
Rings | 0 |
Heavy atoms | 6 |
Hydrogen atoms | 3 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |