Molecule

ID:80338

General Information
Structure
MolImage
Molecular Formula
C₅Cl₄IN
Molecular Mass
342.77667
Exact Mass
340.78295773
Charge
0
InChI
InChI=1S/C5Cl4IN/c6-1-3(10)2(7)5(9)11-4(1)8
InChIKey
BTABLTRRNRROBK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c(c(c1Cl)I)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)I)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.541051
LogD (pH = 7.4)
4.541051
Log P
4.541051
Molar Refractivity
58.6054
Polarizability
22.901148
Polar Surface Area
12.89
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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