Molecule

ID:68545

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIO₂
Molecular Mass
266.0083332
Exact Mass
265.92400559
Charge
0
InChI
InChI=1S/C7H4FIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
OLQSJAFBRCOGPQ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)F)C(=O)O
Isomeric Smiles
C(=O)(c1c(cc(cc1)I)F)O
Calculated Properties
JChem
Acid pKa
3.2756443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4965322
LogD (pH = 7.4)
-0.7286712
Log P
2.702475
Molar Refractivity
46.8931
Polarizability
17.884392
Polar Surface Area
37.3
Rotatable Bonds
1
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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