Molecule

ID:20908

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₂NO
Molecular Mass
213.2238264
Exact Mass
213.09652048
Charge
0
InChI
InChI=1S/C11H13F2NO/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
RUQZKIRDTVNUJB-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)OC1CCCNC1
Isomeric Smiles
c1(c(cc(cc1)F)F)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.95506763
LogD (pH = 7.4)
0.21458139
Log P
2.2021396
Molar Refractivity
52.8896
Polarizability
20.393335
Polar Surface Area
21.26
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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