Molecule

ID:53908

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂FNO₂
Molecular Mass
197.2061832
Exact Mass
197.08520685
Charge
0
InChI
InChI=1S/C10H12FNO2/c1-10(2,3)14-9(13)7-5-4-6-8(11)12-7/h4-6H,1-3H3
InChIKey
HUSBMKLNFMAIMJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(n1)F)OC(C)(C)C
Isomeric Smiles
c1c(nc(cc1)C(=O)OC(C)(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.535493
LogD (pH = 7.4)
2.535493
Log P
2.535493
Molar Refractivity
50.5911
Polarizability
19.099852
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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