P-867461534
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Name | File |
---|---|
SDF | P-867461534.sdf |
SMILES | P-867461534.smiles |
Standard InChI | P-867461534.inchi |
InChIKey | P-867461534.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867461534 | A2B Chem | Predominantly Building Block on demand | N/A | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 248.364 |
logP | 3.207 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 38.49 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 80.6504 |
Atoms | 42 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 24 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |