Molecule

ID:54556

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClI₂N
Molecular Mass
365.33802
Exact Mass
364.79652275
Charge
0
InChI
InChI=1S/C5H2ClI2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
KHLVOIBFCQEXOO-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)I)I
Isomeric Smiles
c1(cnc(c(c1)I)I)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2500947
LogD (pH = 7.4)
3.2500947
Log P
3.2500947
Molar Refractivity
55.139
Polarizability
22.326006
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
References
Bioactivity
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