P-22425612
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Name | File |
---|---|
SDF | P-22425612.sdf |
SMILES | P-22425612.smiles |
Standard InChI | P-22425612.inchi |
InChIKey | P-22425612.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-22425612 | ChemDiv | Discovery Chemistry Library (natural) | 90 | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 622.570 |
logP | -0.7867 |
H-bond acceptors | 15 |
H-bond donors | 7 |
Rotatable bonds | 8 |
PSA | 227.2 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 148.2938 |
Atoms | 78 |
Rings | 5 |
Heavy atoms | 44 |
Hydrogen atoms | 34 |
Heteroatoms | 15 |
N/O atoms | 15 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 10 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 10 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |