MCULE-7159338859
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Name | File |
---|---|
SDF | MCULE-7159338859.sdf |
SMILES | MCULE-7159338859.smiles |
Standard InChI | MCULE-7159338859.inchi |
InChIKey | MCULE-7159338859.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893042411 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-503003170 | Innovapharm | Screening Compounds | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 261.362 |
logP | 3.0026 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 44.37 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 82.4504 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 23 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |