Molecule

ID:11880

General Information
Structure
MolImage
Molecular Formula
C₄HClF₈
Molecular Mass
236.4909656
Exact Mass
235.96390347
Charge
0
InChI
InChI=1S/C4HClF8/c5-4(12,13)3(10,11)2(8,9)1(6)7/h1H
InChIKey
NNMVWNQEVYZFRC-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(Cl)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.768084
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.200929
LogD (pH = 7.4)
3.200929
Log P
3.200929
Molar Refractivity
26.1503
Polarizability
10.174028
Polar Surface Area
0.0
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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