MCULE-8429775734
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Name | File |
---|---|
SDF | MCULE-8429775734.sdf |
SMILES | MCULE-8429775734.smiles |
Standard InChI | MCULE-8429775734.inchi |
InChIKey | MCULE-8429775734.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 292.330 |
logP | 1.822 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 76.66 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 81.2599 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 20 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |