MCULE-4461403935
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Name | File |
---|---|
SDF | MCULE-4461403935.sdf |
SMILES | MCULE-4461403935.smiles |
Standard InChI | MCULE-4461403935.inchi |
InChIKey | MCULE-4461403935.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 353.196 |
logP | 4.3587 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 67.43 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 91.4809 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 14 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |