MCULE-1965378201
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MCULE-7511140669
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1965378201.sdf |
SMILES | MCULE-1965378201.smiles |
Standard InChI | MCULE-1965378201.inchi |
InChIKey | MCULE-1965378201.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 267.363 |
logP | 2.2219 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 10 |
PSA | 50.72 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 76.4385 |
Atoms | 44 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 25 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |