MCULE-9146341610
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Name | File |
---|---|
SDF | MCULE-9146341610.sdf |
SMILES | MCULE-9146341610.smiles |
Standard InChI | MCULE-9146341610.inchi |
InChIKey | MCULE-9146341610.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-47737 | Chemical Block | Screening Library | 90 | As is | 36 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 409.820 |
logP | 5.5052 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 96.51 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 112.4212 |
Atoms | 45 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 16 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |