P-892943343
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Name | File |
---|---|
SDF | P-892943343.sdf |
SMILES | P-892943343.smiles |
Standard InChI | P-892943343.inchi |
InChIKey | P-892943343.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892943343 | A2B Chem | Predominantly Building Block on demand | N/A | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 417.902 |
logP | 4.5086 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 58.1 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 118.8052 |
Atoms | 54 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 25 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |