MCULE-2847087919
- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-5861240040
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2847087919.sdf |
SMILES | MCULE-2847087919.smiles |
Standard InChI | MCULE-2847087919.inchi |
InChIKey | MCULE-2847087919.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 382.278 |
logP | 7.0328 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 22.12 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 111.082 |
Atoms | 43 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 17 |
Heteroatoms | 4 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |