MCULE-3528449536
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Name | File |
---|---|
SDF | MCULE-3528449536.sdf |
SMILES | MCULE-3528449536.smiles |
Standard InChI | MCULE-3528449536.inchi |
InChIKey | MCULE-3528449536.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-873250826 | Key Organics | Building Blocks | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 554.842 |
logP | 8.7275 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 72.56 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 144.3263 |
Atoms | 59 |
Rings | 6 |
Heavy atoms | 37 |
Hydrogen atoms | 22 |
Heteroatoms | 8 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |