Molecule

ID:6449

General Information
Structure
Molecular Formula
C₁₄F₂₄
Molecular Mass
624.1114768
Exact Mass
623.96167728
Charge
0
InChI
InChI=1S/C14F24/c15-1-2(16)4(18,10(29,30)14(37,38)12(33,34)6(2,21)22)8(25,26)7(23,24)3(1,17)9(27,28)13(35,36)11(31,32)5(1,19)20
InChIKey
QKENRHXGDUPTEM-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(F)C(F)(F)C(C2(C1(F)C1(F)C(F)(F)C(F)(F)C(C(C1(F)C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F
Isomeric Smiles
C12(C(C(C(C(C1(C1(C(C(C2(F)F)(F)F)(C(C(C(C1(F)F)(F)F)(F)F)(F)F)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)
7.4014792
LogD (pH = 7.4)
7.4014792
Log P
7.4014792
Molar Refractivity
59.382
Polarizability
24.985563
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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