MCULE-1134528621
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- SMILES:
- InChI:
- Formula:
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MCULE-6461288386
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1134528621.sdf |
SMILES | MCULE-1134528621.smiles |
Standard InChI | MCULE-1134528621.inchi |
InChIKey | MCULE-1134528621.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867484939 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 169.914 |
logP | 1.7202 |
H-bond acceptors | 0 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 11.294 |
Atoms | 6 |
Rings | 0 |
Heavy atoms | 6 |
Hydrogen atoms | 0 |
Heteroatoms | 6 |
N/O atoms | 0 |
Inorganic atoms | 1 |
Halogen atoms | 5 |
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 |