Molecule

ID:9635

General Information
Structure
Molecular Formula
C₇H₅F₂IO
Molecular Mass
270.0152764
Exact Mass
269.93531922
Charge
0
InChI
InChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H
InChIKey
KBNPQVHJUYEJIZ-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)I)F
Isomeric Smiles
c1c(ccc(c1)I)OC(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6712773
LogD (pH = 7.4)
3.6712773
Log P
3.6712773
Molar Refractivity
45.8926
Polarizability
17.867756
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
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References
Bioactivity
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