Molecule

ID:47097

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃ClFNO
Molecular Mass
169.6249232
Exact Mass
169.06696994
Charge
0
InChI
InChI=1S/C6H12FNO.ClH/c7-2-4-9-6-1-3-8-5-6;/h6,8H,1-5H2;1H
InChIKey
LVBWXWDTJYWEOR-UHFFFAOYSA-N
Canonic Smiles
FCCOC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCCF)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.324831
LogD (pH = 7.4)
-2.9438453
Log P
-0.09066235
Molar Refractivity
32.9037
Polarizability
13.010647
Polar Surface Area
21.26
Rotatable Bonds
3
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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