Molecule

ID:98447

General Information
Structure
Molecular Formula
C₈HF₁₃
Molecular Mass
344.0727816
Exact Mass
343.98706689
Charge
0
InChI
InChI=1S/C8HF13/c9-4(8(19,20)21)3(7(16,17)18)2(6(13,14)15)1-5(10,11)12/h1H
InChIKey
DPXNAJTXBVCZPB-UHFFFAOYSA-N
Canonic Smiles
F/C(=C(/C(F)(F)F)\C(=C/C(F)(F)F)\C(F)(F)F)/C(F)(F)F
Isomeric Smiles
F/C(=C(/C(F)(F)F)\C(=C/C(F)(F)F)\C(F)(F)F)/C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.127146
LogD (pH = 7.4)
4.127146
Log P
4.127146
Molar Refractivity
44.0632
Polarizability
14.894451
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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