Molecule

ID:8361

General Information
Structure
MolImage
Molecular Formula
C₇HF₁₃O₂
Molecular Mass
364.0608816
Exact Mass
363.97689613
Charge
0
InChI
InChI=1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
InChIKey
ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(F)(C(C(C(=O)O)(F)F)(F)F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
-2.2892892
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8827528
LogD (pH = 7.4)
0.8827292
Log P
4.4121966
Molar Refractivity
36.9939
Polarizability
14.798742
Polar Surface Area
37.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation