MCULE-8495427610-0
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- InChI:
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1
MCULE-2589096979-0
- Component type: Main
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1
MCULE-2361956978-0
- Component type: Counter Ion
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1
MCULE-5932450224-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8495427610-0.sdf |
SMILES | MCULE-8495427610-0.smiles |
Standard InChI | MCULE-8495427610-0.inchi |
InChIKey | MCULE-8495427610-0.txt |
Property | Value |
---|---|
Components | 3 |
Mass | 360.250 |
logP | 1.8873 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 49.0 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 85.739 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 17 |
Heteroatoms | 10 |
N/O atoms | 4 |
Inorganic atoms | 1 |
Halogen atoms | 3 |
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 |