Molecule

ID:11932

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃ClFNO
Molecular Mass
157.6142232
Exact Mass
157.06696994
Charge
0
InChI
InChI=1S/C5H13FNO.ClH/c1-7(2,5-6)3-4-8;/h8H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey
QJEHIIJVWXGJAB-UHFFFAOYSA-M
Canonic Smiles
OCC[N+](CF)(C)C.[Cl-]
Isomeric Smiles
FC[N+](CCO)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
13.964622
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-4.4819393
LogD (pH = 7.4)
-4.481937
Log P
-4.4819393
Molar Refractivity
41.9149
Polarizability
11.787442
Polar Surface Area
20.23
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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