Molecule

ID:11999

General Information
Structure
MolImage
Molecular Formula
C₈HF₁₆I
Molecular Mass
527.9724612
Exact Mass
527.88674955
Charge
0
InChI
InChI=1S/C8HF16I/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
InChIKey
YGSSMEJGAVBONC-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(I)(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.78678
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.522
LogD (pH = 7.4)
6.522
Log P
6.522
Molar Refractivity
52.9622
Polarizability
21.444458
Polar Surface Area
0.0
Rotatable Bonds
7
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
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References
Bioactivity
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