MCULE-3022422278-0
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- InChI:
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1
MCULE-4613366329-0
- Component type: Main
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1
MCULE-3867000095-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3022422278-0.sdf |
SMILES | MCULE-3022422278-0.smiles |
Standard InChI | MCULE-3022422278-0.inchi |
InChIKey | MCULE-3022422278-0.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 731.747 |
logP | 0.0728 |
H-bond acceptors | 16 |
H-bond donors | 7 |
Rotatable bonds | 8 |
PSA | 233.27 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 197.5514 |
Atoms | 94 |
Rings | 8 |
Heavy atoms | 53 |
Hydrogen atoms | 41 |
Heteroatoms | 16 |
N/O atoms | 16 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 8 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 8 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |