P-580452395
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Name | File |
---|---|
SDF | P-580452395.sdf |
SMILES | P-580452395.smiles |
Standard InChI | P-580452395.inchi |
InChIKey | P-580452395.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-580452395 | CliniSciences S.A.S | All products | 99 | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 218.628 |
logP | 1.9751 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 5 |
PSA | 89.34 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 45.2476 |
Atoms | 26 |
Rings | 0 |
Heavy atoms | 13 |
Hydrogen atoms | 13 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |