MCULE-4708628793
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Name | File |
---|---|
SDF | MCULE-4708628793.sdf |
SMILES | MCULE-4708628793.smiles |
Standard InChI | MCULE-4708628793.inchi |
InChIKey | MCULE-4708628793.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-20643 | Chemical Block | Screening Library | 90 | As is | 4 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 519.897 |
logP | 5.8892 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 12 |
PSA | 89.02 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 129.0254 |
Atoms | 57 |
Rings | 3 |
Heavy atoms | 36 |
Hydrogen atoms | 21 |
Heteroatoms | 11 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |