Molecule

ID:8860

General Information
Structure
MolImage
Molecular Formula
C₇H₄I₂O₂
Molecular Mass
373.9144
Exact Mass
373.83007537
Charge
0
InChI
InChI=1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
NSKPFWAAYDFCFS-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)C(=O)O)I
Isomeric Smiles
c1c(ccc(c1C(=O)O)I)I
Calculated Properties
JChem
Acid pKa
3.1666937
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1802013
LogD (pH = 7.4)
0.037598286
Log P
3.4887178
Molar Refractivity
60.0392
Polarizability
23.52129
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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