Molecule

ID:18925

General Information
Structure
MolImage
Molecular Formula
C₇H₄FIO₂
Molecular Mass
266.0083332
Exact Mass
265.92400559
Charge
0
InChI
InChI=1S/C7H4FIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey
QNNJHBNTHVHALE-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(=O)O)F
Isomeric Smiles
c1c(ccc(c1C(=O)O)F)I
Calculated Properties
JChem
Acid pKa
3.1646469
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3920442
LogD (pH = 7.4)
-0.7489814
Log P
2.702475
Molar Refractivity
46.8931
Polarizability
17.884306
Polar Surface Area
37.3
Rotatable Bonds
1
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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