MCULE-7285797027
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Name | File |
---|---|
SDF | MCULE-7285797027.sdf |
SMILES | MCULE-7285797027.smiles |
Standard InChI | MCULE-7285797027.inchi |
InChIKey | MCULE-7285797027.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-3883077 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg | August 3 |
P-428581100 | Eximed | In-stock screening compounds | 90 | As is | in stock | February 22, 2019 |
P-502959185 | Innovapharm | Screening Compounds | 90 | As is | in stock | August 21, 2017 |
P-13638009 | InterBioScreen | Screening Compounds | 92 | As is | in stock | November 2, 2012 |
P-26391903 | Otava | In-House Stock Library | 90 | As is | in stock | September 9, 2013 |
P-13752893 | Pharmeks | Synthetic compounds | 92 | As is | in stock | November 2, 2012 |
P-519917848 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | January 18, 2018 |
P-2019734 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 186 mg | August 9 |
Property | Value |
---|---|
Components | 1 |
Mass | 328.322 |
logP | 1.8904 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 110.25 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 87.7627 |
Atoms | 40 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 16 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |