MCULE-8346438764-2
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Name | File |
---|---|
SDF | MCULE-8346438764-2.sdf |
SMILES | MCULE-8346438764-2.smiles |
Standard InChI | MCULE-8346438764-2.inchi |
InChIKey | MCULE-8346438764-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-611451405 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 249.266 |
logP | 2.5436 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 79.73 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 68.8725 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 15 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |