Molecule

ID:43627

General Information
Structure
MolImage
Molecular Formula
C₅HCl₃IN
Molecular Mass
308.33161
Exact Mass
306.82193008
Charge
0
InChI
InChI=1S/C5HCl3IN/c6-2-1-10-5(8)3(7)4(2)9/h1H
InChIKey
IPDPWUULSOOSCC-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1Cl)I)Cl
Isomeric Smiles
c1(c(c(cnc1Cl)Cl)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.716829
LogD (pH = 7.4)
3.716829
Log P
3.716829
Molar Refractivity
52.7393
Polarizability
20.809084
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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