MCULE-3283209085
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Name | File |
---|---|
SDF | MCULE-3283209085.sdf |
SMILES | MCULE-3283209085.smiles |
Standard InChI | MCULE-3283209085.inchi |
InChIKey | MCULE-3283209085.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-62738 | Chemical Block | Screening Library | 90 | As is | 164 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 353.371 |
logP | 2.6427 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 96.86 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 97.9469 |
Atoms | 45 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 19 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |