MCULE-3085432365
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- InChI:
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MCULE-4033464768
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3085432365.sdf |
SMILES | MCULE-3085432365.smiles |
Standard InChI | MCULE-3085432365.inchi |
InChIKey | MCULE-3085432365.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489158948 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-899990284 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-899990367 | MedChemExpress | Screening compounds on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 369.325 |
logP | 4.3392 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 23.55 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 104.791 |
Atoms | 50 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 26 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |