Molecule

ID:58035

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO
Molecular Mass
235.2972232
Exact Mass
235.13724242
Charge
0
InChI
InChI=1S/C14H18FNO/c1-11(17)12-6-7-14(13(15)10-12)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKey
WJTOLWYDSXKUOC-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCCCCC1)C(=O)C
Isomeric Smiles
c1(N2CCCCCC2)c(cc(C(=O)C)cc1)F
Calculated Properties
JChem
Acid pKa
16.338472
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0765684
LogD (pH = 7.4)
3.0765738
Log P
3.0765738
Molar Refractivity
67.8488
Polarizability
25.177542
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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