Molecule

ID:20845

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClFNO
Molecular Mass
231.6943032
Exact Mass
231.08262001
Charge
0
InChI
InChI=1S/C11H14FNO.ClH/c12-10-5-1-2-6-11(10)14-9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2;1H
InChIKey
MXLIXTWBZSBJST-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OC1CCCNC1.Cl
Isomeric Smiles
c1(OC2CNCCC2)c(F)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0971448
LogD (pH = 7.4)
0.07516242
Log P
2.0594375
Molar Refractivity
52.6732
Polarizability
20.665636
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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