P-617602038
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Name | File |
---|---|
SDF | P-617602038.sdf |
SMILES | P-617602038.smiles |
Standard InChI | P-617602038.inchi |
InChIKey | P-617602038.txt |
Property | Value |
---|---|
Components | 2 |
Mass | 288.744 |
logP | 1.2536 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 43.78 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 80.2643 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 18 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |