Molecule

ID:7190

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIO₂
Molecular Mass
282.46293
Exact Mass
281.89445505
Charge
0
InChI
InChI=1S/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
LRRDANNSUCQNDU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)I)C(=O)O
Isomeric Smiles
c1cc(c(cc1Cl)I)C(=O)O
Calculated Properties
JChem
Acid pKa
3.296401
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.97754806
LogD (pH = 7.4)
-0.26304263
Log P
3.163818
Molar Refractivity
51.4815
Polarizability
19.981014
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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