MCULE-2304131035
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- SMILES:
- InChI:
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1
MCULE-8632919948
- Component type: Main
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1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2304131035.sdf |
SMILES | MCULE-2304131035.smiles |
Standard InChI | MCULE-2304131035.inchi |
InChIKey | MCULE-2304131035.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 344.229 |
logP | 5.0563 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 43.63 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 88.3877 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 19 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |