Molecule

ID:15085

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₇I
Molecular Mass
352.0317124
Exact Mass
351.9558958
Charge
0
InChI
InChI=1S/C7H8F7I/c8-5(6(9,10)11,7(12,13)14)3-1-2-4-15/h1-4H2
InChIKey
AMVCCXPQNKKJDX-UHFFFAOYSA-N
Canonic Smiles
ICCCCC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C(C(CCCCI)(C(F)(F)F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.568397
LogD (pH = 7.4)
4.568397
Log P
4.568397
Molar Refractivity
48.7157
Polarizability
18.545975
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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