P-869116779
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Name | File |
---|---|
SDF | P-869116779.sdf |
SMILES | P-869116779.smiles |
Standard InChI | P-869116779.inchi |
InChIKey | P-869116779.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869116779 | TargetMol | Screening Compounds - synthesis | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 125.172 |
logP | 0.6216 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 43.84 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 35.9694 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |