Molecule

ID:28549

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁F₂NO₂
Molecular Mass
239.2180464
Exact Mass
239.07578504
Charge
0
InChI
InChI=1S/C12H11F2NO2/c1-7-10(8(2)17-15-7)6-16-12-4-3-9(13)5-11(12)14/h3-5H,6H2,1-2H3
InChIKey
OWEALCQJNUMXOS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)OCc1c(C)noc1C
Isomeric Smiles
c1(c(onc1C)C)COc1c(cc(cc1)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5208933
LogD (pH = 7.4)
2.520928
Log P
2.5209284
Molar Refractivity
58.7498
Polarizability
21.426804
Polar Surface Area
35.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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