Molecule

ID:29412

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀FNO
Molecular Mass
273.3452032
Exact Mass
273.15289249
Charge
0
InChI
InChI=1S/C17H20FNO/c1-13(2)12-20-17-6-4-3-5-16(17)19-11-14-7-9-15(18)10-8-14/h3-10,13,19H,11-12H2,1-2H3
InChIKey
WRFAKEZAIYGXRL-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccccc1NCc1ccc(cc1)F)C
Isomeric Smiles
N(c1c(OCC(C)C)cccc1)Cc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
19.017082
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3761744
LogD (pH = 7.4)
4.3995247
Log P
4.399831
Molar Refractivity
81.2882
Polarizability
30.593506
Polar Surface Area
21.26
Rotatable Bonds
6
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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