Molecule

ID:70624

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃IO
Molecular Mass
288.0057396
Exact Mass
287.92589741
Charge
0
InChI
InChI=1S/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H
InChIKey
UQZXQSQWKJZHCD-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)OC(F)(F)F
Isomeric Smiles
c1(cc(ccc1)OC(F)(F)F)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.333302
LogD (pH = 7.4)
4.333302
Log P
4.333302
Molar Refractivity
42.4908
Polarizability
17.866623
Polar Surface Area
9.23
Rotatable Bonds
2
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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