P-892967336
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Name | File |
---|---|
SDF | P-892967336.sdf |
SMILES | P-892967336.smiles |
Standard InChI | P-892967336.inchi |
InChIKey | P-892967336.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892967336 | A2B Chem | Predominantly Building Block on demand | N/A | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 249.347 |
logP | 0.5387 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 10 |
PSA | 70.95 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 67.0933 |
Atoms | 44 |
Rings | 0 |
Heavy atoms | 17 |
Hydrogen atoms | 27 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |