Molecule

ID:7694

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₁₂O
Molecular Mass
332.0868984
Exact Mass
332.00705339
Charge
0
InChI
InChI=1S/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2
InChIKey
BYKNGMLDSIEFFG-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.621079
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4509723
LogD (pH = 7.4)
3.4509697
Log P
3.4509723
Molar Refractivity
36.1617
Polarizability
14.404561
Polar Surface Area
20.23
Rotatable Bonds
6
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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