MCULE-6842631442
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Name | File |
---|---|
SDF | MCULE-6842631442.sdf |
SMILES | MCULE-6842631442.smiles |
Standard InChI | MCULE-6842631442.inchi |
InChIKey | MCULE-6842631442.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 289.369 |
logP | 2.8068 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 38.77 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 85.2525 |
Atoms | 44 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 23 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |