Molecule

ID:14846

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆FNO
Molecular Mass
197.2492432
Exact Mass
197.12159236
Charge
0
InChI
InChI=1S/C11H16FNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKey
WDLIUSVZZOVBQW-UHFFFAOYSA-N
Canonic Smiles
CCC(NCc1ccccc1F)CO
Isomeric Smiles
c1(c(cccc1)F)CNC(CC)CO
Calculated Properties
JChem
Acid pKa
15.120449
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.98074806
LogD (pH = 7.4)
0.63473463
Log P
1.923292
Molar Refractivity
54.7575
Polarizability
21.329151
Polar Surface Area
32.26
Rotatable Bonds
5
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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