P-860993327
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Name | File |
---|---|
SDF | P-860993327.sdf |
SMILES | P-860993327.smiles |
Standard InChI | P-860993327.inchi |
InChIKey | P-860993327.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860993327 | Chiralstar | Chiralstar Building Blocks | 95 | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 229.744 |
logP | 3.4785 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 46.25 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 66.3192 |
Atoms | 35 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 20 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |