Molecule

ID:58031

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄FNO
Molecular Mass
207.2440632
Exact Mass
207.10594229
Charge
0
InChI
InChI=1S/C12H14FNO/c1-9(15)10-4-5-12(11(13)8-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKey
GETWGIMLYQVKIA-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCCC1)C(=O)C
Isomeric Smiles
c1(N2CCCC2)c(cc(C(=O)C)cc1)F
Calculated Properties
JChem
Acid pKa
16.33847
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1874359
LogD (pH = 7.4)
2.1874366
Log P
2.1874366
Molar Refractivity
58.6468
Polarizability
21.504007
Polar Surface Area
20.31
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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