MCULE-7458830212
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- InChI:
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1
MCULE-5545745099
- Component type: Main
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1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7458830212.sdf |
SMILES | MCULE-7458830212.smiles |
Standard InChI | MCULE-7458830212.inchi |
InChIKey | MCULE-7458830212.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 461.511 |
logP | 0.5533 |
H-bond acceptors | 11 |
H-bond donors | 3 |
Rotatable bonds | 7 |
PSA | 137.11 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 130.9983 |
Atoms | 64 |
Rings | 3 |
Heavy atoms | 33 |
Hydrogen atoms | 31 |
Heteroatoms | 11 |
N/O atoms | 11 |
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 |