MCULE-3907214314
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- SMILES:
- InChI:
- Formula:
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MCULE-9474213990
- Component type: Main
Name | File |
---|---|
SDF | MCULE-3907214314.sdf |
SMILES | MCULE-3907214314.smiles |
Standard InChI | MCULE-3907214314.inchi |
InChIKey | MCULE-3907214314.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-33404567 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 417.563 |
logP | 4.5633 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 13 |
PSA | 73.3 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 119.107 |
Atoms | 60 |
Rings | 2 |
Heavy atoms | 29 |
Hydrogen atoms | 31 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |