MCULE-4973302523
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Name | File |
---|---|
SDF | MCULE-4973302523.sdf |
SMILES | MCULE-4973302523.smiles |
Standard InChI | MCULE-4973302523.inchi |
InChIKey | MCULE-4973302523.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 464.599 |
logP | 5.0533 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 11 |
PSA | 90.54 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 139.3616 |
Atoms | 70 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 36 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |