MCULE-5719409176
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Name | File |
---|---|
SDF | MCULE-5719409176.sdf |
SMILES | MCULE-5719409176.smiles |
Standard InChI | MCULE-5719409176.inchi |
InChIKey | MCULE-5719409176.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-888171166 | Molnova | On demand | 98 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 462.661 |
logP | 4.268 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 0 |
PSA | 79.15 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 129.2754 |
Atoms | 79 |
Rings | 6 |
Heavy atoms | 33 |
Hydrogen atoms | 46 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 13 |
R/S chiral centers | 13 |
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 |