Molecule

ID:12067

General Information
Structure
MolImage
Molecular Formula
C₈HF₁₃
Molecular Mass
344.0727816
Exact Mass
343.98706689
Charge
0
InChI
InChI=1S/C8HF13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H
InChIKey
QRRGZVPIVBHZCM-UHFFFAOYSA-N
Canonic Smiles
C#CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C#C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.857918
LogD (pH = 7.4)
4.857918
Log P
4.857918
Molar Refractivity
38.3393
Polarizability
14.475579
Polar Surface Area
0.0
Rotatable Bonds
5
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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