Molecule

ID:94978

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₃IO
Molecular Mass
322.4507996
Exact Mass
321.88692506
Charge
0
InChI
InChI=1S/C7H3ClF3IO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H
InChIKey
NFAJTTNPYSKSCV-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1Cl)OC(F)(F)F
Isomeric Smiles
Ic1c(cc(cc1)OC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9373465
LogD (pH = 7.4)
4.9373465
Log P
4.9373465
Molar Refractivity
47.2956
Polarizability
19.90277
Polar Surface Area
9.23
Rotatable Bonds
2
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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