MCULE-3965435388
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Name | File |
---|---|
SDF | MCULE-3965435388.sdf |
SMILES | MCULE-3965435388.smiles |
Standard InChI | MCULE-3965435388.inchi |
InChIKey | MCULE-3965435388.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 282.336 |
logP | 3.3248 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 58.2 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 83.4254 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |