Molecule

ID:7614

General Information
Structure
Molecular Formula
C₇H₃F₄I
Molecular Mass
289.9968028
Exact Mass
289.92156098
Charge
0
InChI
InChI=1S/C7H3F4I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H
InChIKey
DKLKYTATXLQGMX-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(F)(F)F)F
Isomeric Smiles
c1(ccc(c(c1)C(F)(F)F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9227407
LogD (pH = 7.4)
3.9227407
Log P
3.9227407
Molar Refractivity
45.6106
Polarizability
17.035406
Polar Surface Area
0.0
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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