Molecule

ID:11998

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₁₅I
Molecular Mass
509.981998
Exact Mass
509.89617136
Charge
0
InChI
InChI=1S/C8H2F15I/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H2
InChIKey
CVJNJHVXFLKZGB-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(C(C(C(C(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
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.2261314
LogD (pH = 7.4)
6.2261314
Log P
6.2261314
Molar Refractivity
53.267
Polarizability
21.237328
Polar Surface Area
0.0
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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