P-500395264
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Name | File |
---|---|
SDF | P-500395264.sdf |
SMILES | P-500395264.smiles |
Standard InChI | P-500395264.inchi |
InChIKey | P-500395264.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-500395264 | Pi Chemicals | Virtual Compounds | 97 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 1143.275 |
logP | 3.8883 |
H-bond acceptors | 26 |
H-bond donors | 13 |
Rotatable bonds | 40 |
PSA | 485.78 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 284.4078 |
Atoms | 140 |
Rings | 4 |
Heavy atoms | 78 |
Hydrogen atoms | 62 |
Heteroatoms | 29 |
N/O atoms | 26 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 7 |
R/S chiral centers | 7 |
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 |