MCULE-3074765226-0
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Name | File |
---|---|
SDF | MCULE-3074765226-0.sdf |
SMILES | MCULE-3074765226-0.smiles |
Standard InChI | MCULE-3074765226-0.inchi |
InChIKey | MCULE-3074765226-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892978515 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-675512653 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502835882 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502465380 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-33464260 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 244.070 |
logP | 2.6076 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 37.38 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 61.8845 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |