Molecule
ID:38342
General Information
Molecular Formula
C₁₀H₁₂FNO₂
Molecular Mass
197.2061832
Exact Mass
197.08520685
Charge
0
InChI
InChI=1S/C10H12FNO2/c11-8-2-1-3-9(10(8)13)12-4-6-14-7-5-12/h1-3,13H,4-7H2
InChIKey
KKTVANJLFRXIDS-UHFFFAOYSA-N
Canonic Smiles
Oc1c(F)cccc1N1CCOCC1
Isomeric Smiles
c1(c(cccc1F)N1CCOCC1)O
Calculated Properties
JChem
Acid pKa
9.210045
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7018417
LogD (pH = 7.4)
1.6952959
Log P
1.7019259
Molar Refractivity
51.7584
Polarizability
19.11925
Polar Surface Area
32.7
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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