Molecule

ID:87192

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClIO
Molecular Mass
254.45283
Exact Mass
253.89954043
Charge
0
InChI
InChI=1S/C6H4ClIO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey
JKPLMQJLGBBFLO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)I)O
Isomeric Smiles
Oc1ccc(cc1I)Cl
Calculated Properties
JChem
Acid pKa
7.8492002
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.200744
LogD (pH = 7.4)
3.07164
Log P
3.2026696
Molar Refractivity
46.2062
Polarizability
18.149673
Polar Surface Area
20.23
Rotatable Bonds
0
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
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References
Bioactivity
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