MCULE-8743966737
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Name | File |
---|---|
SDF | MCULE-8743966737.sdf |
SMILES | MCULE-8743966737.smiles |
Standard InChI | MCULE-8743966737.inchi |
InChIKey | MCULE-8743966737.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 268.312 |
logP | -1.1872 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 81.75 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 75.3954 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 20 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |