P-895830153
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Name | File |
---|---|
SDF | P-895830153.sdf |
SMILES | P-895830153.smiles |
Standard InChI | P-895830153.inchi |
InChIKey | P-895830153.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-895830153 | MedChemExpress | Building Blocks on demand | 95 | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 176.257 |
logP | 1.9557 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 5 |
PSA | 89.34 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 49.8706 |
Atoms | 32 |
Rings | 0 |
Heavy atoms | 12 |
Hydrogen atoms | 20 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |