MCULE-1438562875
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Name | File |
---|---|
SDF | MCULE-1438562875.sdf |
SMILES | MCULE-1438562875.smiles |
Standard InChI | MCULE-1438562875.inchi |
InChIKey | MCULE-1438562875.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3241758 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 86 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 243.275 |
logP | 3.7076 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 29.1 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.6902 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |