MCULE-6895633451
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Name | File |
---|---|
SDF | MCULE-6895633451.sdf |
SMILES | MCULE-6895633451.smiles |
Standard InChI | MCULE-6895633451.inchi |
InChIKey | MCULE-6895633451.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-6507144 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
P-502778044 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-33901651 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 311.417 |
logP | 4.4643 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 38.33 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 96.0867 |
Atoms | 48 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 25 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |