MCULE-1858636187
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- InChI:
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Name | File |
---|---|
SDF | MCULE-1858636187.sdf |
SMILES | MCULE-1858636187.smiles |
Standard InChI | MCULE-1858636187.inchi |
InChIKey | MCULE-1858636187.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-871238931 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-855107345 | Toronto Research | In stock | 90 | As is | in stock |
P-855298981 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 100.457 |
logP | 0.1563 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 71.44 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 9.8483 |
Atoms | 6 |
Rings | 0 |
Heavy atoms | 5 |
Hydrogen atoms | 1 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |