MCULE-3596888200
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Name | File |
---|---|
SDF | MCULE-3596888200.sdf |
SMILES | MCULE-3596888200.smiles |
Standard InChI | MCULE-3596888200.inchi |
InChIKey | MCULE-3596888200.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 240.342 |
logP | 1.4848 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 41.57 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 71.2747 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 24 |
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 |