P-886856611
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Name | File |
---|---|
SDF | P-886856611.sdf |
SMILES | P-886856611.smiles |
Standard InChI | P-886856611.inchi |
InChIKey | P-886856611.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886856611 | Chemshuttle | On request catalog | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 1036.671 |
logP | 8.5745 |
H-bond acceptors | 16 |
H-bond donors | 5 |
Rotatable bonds | 27 |
PSA | 229.0 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 290.2771 |
Atoms | 139 |
Rings | 7 |
Heavy atoms | 73 |
Hydrogen atoms | 66 |
Heteroatoms | 18 |
N/O atoms | 16 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 5 |
R/S chiral centers | 5 |
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 |