MCULE-5498631429
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Name | File |
---|---|
SDF | MCULE-5498631429.sdf |
SMILES | MCULE-5498631429.smiles |
Standard InChI | MCULE-5498631429.inchi |
InChIKey | MCULE-5498631429.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4877670 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
P-502765432 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-33897204 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 357.399 |
logP | 3.1427 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 73.86 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 98.5192 |
Atoms | 49 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 23 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |