P-502586516
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Name | File |
---|---|
SDF | P-502586516.sdf |
SMILES | P-502586516.smiles |
Standard InChI | P-502586516.inchi |
InChIKey | P-502586516.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502586516 | Innovapharm | Virtual Building Blocks | 95 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 1329.101 |
logP | -9.5392 |
H-bond acceptors | 48 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 376.8 |
RO5 violations | 2 |
RO3 violations | 3 |
Refractivity | 407.376 |
Atoms | 144 |
Rings | 25 |
Heavy atoms | 96 |
Hydrogen atoms | 48 |
Heteroatoms | 48 |
N/O atoms | 48 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 16 |
R/S chiral centers | 16 |
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 |