P-33360166
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Name | File |
---|---|
SDF | P-33360166.sdf |
SMILES | P-33360166.smiles |
Standard InChI | P-33360166.inchi |
InChIKey | P-33360166.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33360166 | TimTec | ActiMol 2 Week | 90 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 406.230 |
logP | 3.019 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 89.02 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 97.4194 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 25 |
Hydrogen atoms | 16 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |