MCULE-1860111121
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Name | File |
---|---|
SDF | MCULE-1860111121.sdf |
SMILES | MCULE-1860111121.smiles |
Standard InChI | MCULE-1860111121.inchi |
InChIKey | MCULE-1860111121.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-610891509 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis | July 6, 2020 |
P-851913873 | AmBeed | On request | 95 | As is | by synthesis | April 1 |
P-591114690 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis | July 29 |
P-852505775 | Matrix Scientific | All | 95 | As is | in stock | February 18 |
P-855323366 | Toronto Research | In stock | N/A | As is | in stock | May 10 |
Property | Value |
---|---|
Components | 1 |
Mass | 211.667 |
logP | 0.5009 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 62.83 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 49.613 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 10 |
Heteroatoms | 6 |
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 |