Molecule

ID:8081

General Information
Structure
MolImage
Molecular Formula
C₇HF₇O
Molecular Mass
234.0710624
Exact Mass
233.99156219
Charge
0
InChI
InChI=1S/C7HF7O/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H
InChIKey
HZQGKHUTYHEFBT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(O)c(F)c(c(c1F)C(F)(F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)C(F)(F)F)F)F)O
Calculated Properties
JChem
Acid pKa
5.6988025
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9085562
LogD (pH = 7.4)
1.6055303
Log P
3.1183367
Molar Refractivity
34.8782
Polarizability
12.239396
Polar Surface Area
20.23
Rotatable Bonds
1
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
References
Bioactivity
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