MCULE-8490963564-0
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- SMILES:
- InChI:
- Formula:
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1
MCULE-6623728440-0
- Component type: Main
-
1
MCULE-5726619687-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8490963564-0.sdf |
SMILES | MCULE-8490963564-0.smiles |
Standard InChI | MCULE-8490963564-0.inchi |
InChIKey | MCULE-8490963564-0.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 414.822 |
logP | 3.2426 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 3 |
PSA | 128.09 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 112.3526 |
Atoms | 51 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 24 |
Heteroatoms | 10 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |