MCULE-1236520881-0
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Name | File |
---|---|
SDF | MCULE-1236520881-0.sdf |
SMILES | MCULE-1236520881-0.smiles |
Standard InChI | MCULE-1236520881-0.inchi |
InChIKey | MCULE-1236520881-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-611420761 | Toronto Research | In stock | 90 | As is | in stock |
P-854987255 | Toronto Research | In stock | 90 | As is | in stock |
P-855070879 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 174.242 |
logP | 2.7579 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 41.81 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 55.5861 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |