Molecule

ID:58028

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈FNO
Molecular Mass
235.2972232
Exact Mass
235.13724242
Charge
0
InChI
InChI=1S/C14H18FNO/c1-10-5-7-16(8-6-10)14-4-3-12(11(2)17)9-13(14)15/h3-4,9-10H,5-8H2,1-2H3
InChIKey
KABKVMCSWOIKRT-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(cc1F)C(=O)C
Isomeric Smiles
N1(c2c(cc(C(=O)C)cc2)F)CCC(CC1)C
Calculated Properties
JChem
Acid pKa
16.338451
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9190223
LogD (pH = 7.4)
2.9190242
Log P
2.9190245
Molar Refractivity
67.7964
Polarizability
25.17754
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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