Molecule

ID:120403

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClIO₃
Molecular Mass
298.46233
Exact Mass
297.88936967
Charge
0
InChI
InChI=1S/C7H4ClIO3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
FJFVPSQQCQZHMG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(I)c(c(c1)C(=O)O)O
Isomeric Smiles
c1(c(c(cc(c1)Cl)I)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4547384
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5877805
LogD (pH = 7.4)
-0.0031648271
Log P
3.5102525
Molar Refractivity
53.4624
Polarizability
20.705406
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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