MCULE-7450934896
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Name | File |
---|---|
SDF | MCULE-7450934896.sdf |
SMILES | MCULE-7450934896.smiles |
Standard InChI | MCULE-7450934896.inchi |
InChIKey | MCULE-7450934896.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489244558 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-498641339 | SV CHEMBIOTECH | SV Chembiotech Products | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 489.482 |
logP | 5.2604 |
H-bond acceptors | 11 |
H-bond donors | 5 |
Rotatable bonds | 4 |
PSA | 223.71 |
RO5 violations | 2 |
RO3 violations | 6 |
Refractivity | 117.8191 |
Atoms | 48 |
Rings | 4 |
Heavy atoms | 33 |
Hydrogen atoms | 15 |
Heteroatoms | 13 |
N/O atoms | 11 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |