P-580385864
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Name | File |
---|---|
SDF | P-580385864.sdf |
SMILES | P-580385864.smiles |
Standard InChI | P-580385864.inchi |
InChIKey | P-580385864.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580385864 | Debye Scientific | General Catalog | N/A | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 187.241 |
logP | 1.9826 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 29.85 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 56.1387 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 13 |
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 |