P-22713485
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Name | File |
---|---|
SDF | P-22713485.sdf |
SMILES | P-22713485.smiles |
Standard InChI | P-22713485.inchi |
InChIKey | P-22713485.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-22713485 | TimTec | ActiMol 3 Week | 90 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 262.305 |
logP | 3.8685 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 41.99 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 80.9232 |
Atoms | 34 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |