P-889869147
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Name | File |
---|---|
SDF | P-889869147.sdf |
SMILES | P-889869147.smiles |
Standard InChI | P-889869147.inchi |
InChIKey | P-889869147.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889869147 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 1449.248 |
logP | 3.9326 |
H-bond acceptors | 33 |
H-bond donors | 19 |
Rotatable bonds | 14 |
PSA | 530.49 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 368.3263 |
Atoms | 176 |
Rings | 10 |
Heavy atoms | 101 |
Hydrogen atoms | 75 |
Heteroatoms | 35 |
N/O atoms | 33 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 18 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 18 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |