MCULE-3657101683
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Name | File |
---|---|
SDF | MCULE-3657101683.sdf |
SMILES | MCULE-3657101683.smiles |
Standard InChI | MCULE-3657101683.inchi |
InChIKey | MCULE-3657101683.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 402.437 |
logP | 2.177 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 9 |
PSA | 64.68 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 113.3164 |
Atoms | 53 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 24 |
Heteroatoms | 8 |
N/O atoms | 6 |
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 |