MCULE-8819064335
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MCULE-7789582952
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8819064335.sdf |
SMILES | MCULE-8819064335.smiles |
Standard InChI | MCULE-8819064335.inchi |
InChIKey | MCULE-8819064335.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-611521974 | Toronto Research | In stock | 90 | As is | in stock |
P-854975139 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 168.042 |
logP | -1.1822 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 121.71 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 29.4939 |
Atoms | 15 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 5 |
Heteroatoms | 7 |
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 |