Molecule

ID:18993

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FNO
Molecular Mass
169.1960832
Exact Mass
169.09029223
Charge
0
InChI
InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3
InChIKey
WGUPBBABCUKYCC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)C(N)C
Isomeric Smiles
c1(cc(ccc1OC)C(N)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4935637
LogD (pH = 7.4)
-0.6082468
Log P
1.5006199
Molar Refractivity
45.6298
Polarizability
17.708817
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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