MCULE-9920754312-1
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- InChI:
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- Component type: Unknown
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MCULE-6179607288-1
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- Component type: Counter Ion
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MCULE-7974436035-0
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MCULE-2089808361-1
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- Component type: Counter Ion
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MCULE-9654890734-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9920754312-1.sdf |
SMILES | MCULE-9920754312-1.smiles |
Standard InChI | MCULE-9920754312-1.inchi |
InChIKey | MCULE-9920754312-1.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 115.064 |
logP | -1.6229 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 77.43 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 22.4693 |
Atoms | 11 |
Rings | 0 |
Heavy atoms | 8 |
Hydrogen atoms | 3 |
Heteroatoms | 4 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |