P-885536142
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Name | File |
---|---|
SDF | P-885536142.sdf |
SMILES | P-885536142.smiles |
Standard InChI | P-885536142.inchi |
InChIKey | P-885536142.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885536142 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 281.434 |
logP | 4.5739 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 9 |
PSA | 3.24 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 92.44 |
Atoms | 48 |
Rings | 2 |
Heavy atoms | 21 |
Hydrogen atoms | 27 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |