P-588743690
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Name | File |
---|---|
SDF | P-588743690.sdf |
SMILES | P-588743690.smiles |
Standard InChI | P-588743690.inchi |
InChIKey | P-588743690.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-588743690 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 171.579 |
logP | 2.2016 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 63.32 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 42.8157 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 6 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |