Molecule

ID:68771

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIO₂
Molecular Mass
266.0083332
Exact Mass
265.92400559
Charge
0
InChI
InChI=1S/C7H4FIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
IKSOHJRYPQRTLQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)I)F
Isomeric Smiles
C(=O)(c1cc(c(cc1)F)I)O
Calculated Properties
JChem
Acid pKa
4.096335
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.285234
LogD (pH = 7.4)
-0.3987643
Log P
2.702475
Molar Refractivity
46.8931
Polarizability
17.892706
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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