MCULE-1013719295-2
- InChIKey:
- SMILES:
- InChI:
- Formula:
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MCULE-8686668853-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1013719295-2.sdf |
SMILES | MCULE-1013719295-2.smiles |
Standard InChI | MCULE-1013719295-2.inchi |
InChIKey | MCULE-1013719295-2.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 155.088 |
logP | -2.5733 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 105.85 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 32.7004 |
Atoms | 14 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 3 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |