MCULE-4543293701
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Name | File |
---|---|
SDF | MCULE-4543293701.sdf |
SMILES | MCULE-4543293701.smiles |
Standard InChI | MCULE-4543293701.inchi |
InChIKey | MCULE-4543293701.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-16168396 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 460.610 |
logP | 5.8424 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 67.23 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 139.3437 |
Atoms | 70 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 36 |
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 |