MCULE-2833760384
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Name | File |
---|---|
SDF | MCULE-2833760384.sdf |
SMILES | MCULE-2833760384.smiles |
Standard InChI | MCULE-2833760384.inchi |
InChIKey | MCULE-2833760384.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 237.723 |
logP | 3.5641 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 66.1477 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |