Molecule

ID:125224

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀FNO₂
Molecular Mass
241.3018032
Exact Mass
241.14780711
Charge
0
InChI
InChI=1S/C13H20FNO2/c1-9(15)6-11-8-12(16-2)10(4-5-14)7-13(11)17-3/h7-9H,4-6,15H2,1-3H3
InChIKey
QLENKWFQUHHBKZ-UHFFFAOYSA-N
Canonic Smiles
FCCc1cc(OC)c(cc1OC)CC(N)C
Isomeric Smiles
COc1cc(CC(C)N)c(cc1CCF)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1146548
LogD (pH = 7.4)
-0.50955176
Log P
1.9013112
Molar Refractivity
66.5104
Polarizability
25.630775
Polar Surface Area
44.48
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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