Molecule

ID:78089

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClIO
Molecular Mass
268.47941
Exact Mass
267.91519049
Charge
0
InChI
InChI=1S/C7H6ClIO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey
XLGCDJBIFRLTJZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)I)O
Isomeric Smiles
Oc1c(cc(cc1C)Cl)I
Calculated Properties
JChem
Acid pKa
8.22905
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7152865
LogD (pH = 7.4)
3.6564763
Log P
3.7160912
Molar Refractivity
51.2474
Polarizability
19.871775
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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