MCULE-7437954656-1
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- InChI:
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MCULE-3196880698-0
- Component type: Main
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MCULE-8785098565-0
- Component type: Main
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MCULE-7864838504-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7437954656-1.sdf |
SMILES | MCULE-7437954656-1.smiles |
Standard InChI | MCULE-7437954656-1.inchi |
InChIKey | MCULE-7437954656-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-504021421 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-504021884 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
P-504022272 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 165.165 |
logP | 0.1237 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 49.36 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 42.5365 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 9 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |