P-889853046
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Name | File |
---|---|
SDF | P-889853046.sdf |
SMILES | P-889853046.smiles |
Standard InChI | P-889853046.inchi |
InChIKey | P-889853046.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889853046 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 416.424 |
logP | 4.3937 |
H-bond acceptors | 9 |
H-bond donors | 2 |
Rotatable bonds | 11 |
PSA | 130.68 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 110.9947 |
Atoms | 54 |
Rings | 2 |
Heavy atoms | 30 |
Hydrogen atoms | 24 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |