MCULE-2900307872
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Name | File |
---|---|
SDF | MCULE-2900307872.sdf |
SMILES | MCULE-2900307872.smiles |
Standard InChI | MCULE-2900307872.inchi |
InChIKey | MCULE-2900307872.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
---|---|---|---|---|---|---|
P-12828644 | InterBioScreen | Screening Compounds | 92 | As is | in stock | November 2, 2012 |
P-12895944 | Otava | In-House Stock Library | 90 | As is | in stock | November 2, 2012 |
P-617701408 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | in stock | November 19, 2021 |
P-674636837 | Pharmeks | Synthetic compounds | 92 | As is | in stock | May 24, 2021 |
P-19109004 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | May 30, 2013 |
P-25056820 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 341 mg | August 9 |
Property | Value |
---|---|
Components | 1 |
Mass | 449.062 |
logP | 4.2356 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 94.91 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 104.6568 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 27 |
Hydrogen atoms | 9 |
Heteroatoms | 10 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |