P-504250358
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Name | File |
---|---|
SDF | P-504250358.sdf |
SMILES | P-504250358.smiles |
Standard InChI | P-504250358.inchi |
InChIKey | P-504250358.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-504250358 | Innovapharm | Virtual Screening Compounds | 90 | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 364.847 |
logP | 4.8765 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 74.86 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 98.2147 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 17 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |