P-890851114
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Name | File |
---|---|
SDF | P-890851114.sdf |
SMILES | P-890851114.smiles |
Standard InChI | P-890851114.inchi |
InChIKey | P-890851114.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-890851114 | Innovapharm | Screening Compounds | 90 | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 420.391 |
logP | 3.4224 |
H-bond acceptors | 10 |
H-bond donors | 5 |
Rotatable bonds | 9 |
PSA | 163.87 |
RO5 violations | 0 |
RO3 violations | 6 |
Refractivity | 107.3974 |
Atoms | 51 |
Rings | 2 |
Heavy atoms | 30 |
Hydrogen atoms | 21 |
Heteroatoms | 11 |
N/O atoms | 10 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |