MCULE-4636414333
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- InChI:
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MCULE-3601456321
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4636414333.sdf |
SMILES | MCULE-4636414333.smiles |
Standard InChI | MCULE-4636414333.inchi |
InChIKey | MCULE-4636414333.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 239.739 |
logP | 3.1729 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 20.31 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.7365 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 18 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |