MCULE-4407246631
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MCULE-7773701090
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4407246631.sdf |
SMILES | MCULE-4407246631.smiles |
Standard InChI | MCULE-4407246631.inchi |
InChIKey | MCULE-4407246631.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489186458 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-870654159 | Glentham Life Sciences | Compounds typically in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 715.392 |
logP | 2.0479 |
H-bond acceptors | 20 |
H-bond donors | 6 |
Rotatable bonds | 13 |
PSA | 331.7 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 154.9179 |
Atoms | 71 |
Rings | 5 |
Heavy atoms | 47 |
Hydrogen atoms | 24 |
Heteroatoms | 23 |
N/O atoms | 20 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |