Molecule

ID:7501

General Information
Structure
Molecular Formula
C₇H₃ClF₃I
Molecular Mass
306.4513996
Exact Mass
305.89201044
Charge
0
InChI
InChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKey
ULJRBVGSKAKZKQ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1Cl)C(F)(F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3840833
LogD (pH = 7.4)
4.3840833
Log P
4.3840833
Molar Refractivity
50.199
Polarizability
19.081379
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
No Data Available
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Molecule Details
References
Bioactivity
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