P-893871604
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Name | File |
---|---|
SDF | P-893871604.sdf |
SMILES | P-893871604.smiles |
Standard InChI | P-893871604.inchi |
InChIKey | P-893871604.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893871604 | eNovation Chemicals LLC | Building Block on demand | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 234.319 |
logP | 3.5445 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 76.38 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.2194 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
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 |