MCULE-2832294390
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- InChI:
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1
MCULE-2679667143
- Component type: Main
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1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2832294390.sdf |
SMILES | MCULE-2832294390.smiles |
Standard InChI | MCULE-2832294390.inchi |
InChIKey | MCULE-2832294390.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 403.449 |
logP | 2.3864 |
H-bond acceptors | 9 |
H-bond donors | 3 |
Rotatable bonds | 7 |
PSA | 147.61 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 98.1573 |
Atoms | 52 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 25 |
Heteroatoms | 10 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |