P-864057182
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Name | File |
---|---|
SDF | P-864057182.sdf |
SMILES | P-864057182.smiles |
Standard InChI | P-864057182.inchi |
InChIKey | P-864057182.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-864057182 | MedChemExpress | Building Blocks on demand | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 317.311 |
logP | 3.1274 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 64.63 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 83.4122 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |