MCULE-1036585263
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Name | File |
---|---|
SDF | MCULE-1036585263.sdf |
SMILES | MCULE-1036585263.smiles |
Standard InChI | MCULE-1036585263.inchi |
InChIKey | MCULE-1036585263.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 342.389 |
logP | 4.0 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 49.41 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 107.5667 |
Atoms | 44 |
Rings | 5 |
Heavy atoms | 26 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |