P-608492931
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Name | File |
---|---|
SDF | P-608492931.sdf |
SMILES | P-608492931.smiles |
Standard InChI | P-608492931.inchi |
InChIKey | P-608492931.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-608492931 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 458.619 |
logP | 5.3994 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 103.57 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 127.8827 |
Atoms | 66 |
Rings | 4 |
Heavy atoms | 32 |
Hydrogen atoms | 34 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 |