MCULE-8959596107
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Name | File |
---|---|
SDF | MCULE-8959596107.sdf |
SMILES | MCULE-8959596107.smiles |
Standard InChI | MCULE-8959596107.inchi |
InChIKey | MCULE-8959596107.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 222.283 |
logP | 2.6153 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 50.36 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 64.4174 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 16 |
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 |