MCULE-3956724474
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- InChI:
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MCULE-3040251309
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3956724474.sdf |
SMILES | MCULE-3956724474.smiles |
Standard InChI | MCULE-3956724474.inchi |
InChIKey | MCULE-3956724474.txt |
Property | Value |
---|---|
Components | 1 |
Mass | 458.590 |
logP | 5.6924 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 10 |
PSA | 50.8 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 139.5207 |
Atoms | 68 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 34 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |