MCULE-1628917597-0
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1
MCULE-6725988820-0
- Component type: Main
-
2
MCULE-5932450224-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1628917597-0.sdf |
SMILES | MCULE-1628917597-0.smiles |
Standard InChI | MCULE-1628917597-0.inchi |
InChIKey | MCULE-1628917597-0.txt |
Property | Value |
---|---|
Components | 3 |
Mass | 419.638 |
logP | 1.4531 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 17 |
PSA | 109.36 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 91.3007 |
Atoms | 57 |
Rings | 0 |
Heavy atoms | 26 |
Hydrogen atoms | 31 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 2 |
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 |