P-579268886
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Name | File |
---|---|
SDF | P-579268886.sdf |
SMILES | P-579268886.smiles |
Standard InChI | P-579268886.inchi |
InChIKey | P-579268886.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 352.432 |
logP | 0.439 |
H-bond acceptors | 8 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 125.66 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 79.69 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 20 |
Heteroatoms | 10 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |