MCULE-3032637844
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- SMILES:
- InChI:
- Formula:
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1
MCULE-7976371525
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3032637844.sdf |
SMILES | MCULE-3032637844.smiles |
Standard InChI | MCULE-3032637844.inchi |
InChIKey | MCULE-3032637844.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 486.556 |
logP | 3.6677 |
H-bond acceptors | 9 |
H-bond donors | 3 |
Rotatable bonds | 10 |
PSA | 125.4 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 135.1123 |
Atoms | 69 |
Rings | 3 |
Heavy atoms | 35 |
Hydrogen atoms | 34 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |