MCULE-9774244529
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- SMILES:
- InChI:
- Formula:
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MCULE-6762236816
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9774244529.sdf |
SMILES | MCULE-9774244529.smiles |
Standard InChI | MCULE-9774244529.inchi |
InChIKey | MCULE-9774244529.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4583994 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 209.259 |
logP | 2.2382 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 12.47 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 61.624 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |