Molecule

ID:99833

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FNO
Molecular Mass
169.1960832
Exact Mass
169.09029223
Charge
0
InChI
InChI=1S/C9H12FNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3
InChIKey
NEGVGBPSCVOSAI-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(F)ccc1O)C
Isomeric Smiles
Fc1cc(c(cc1)O)CN(C)C
Calculated Properties
JChem
Acid pKa
7.951149
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2324641
LogD (pH = 7.4)
0.4049731
Log P
0.83389515
Molar Refractivity
46.798
Polarizability
17.638874
Polar Surface Area
23.47
Rotatable Bonds
2
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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