Molecule

ID:68935

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClIN
Molecular Mass
239.44149
Exact Mass
238.89987478
Charge
0
InChI
InChI=1S/C5H3ClIN/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey
LTCHVAFYGVXKHH-UHFFFAOYSA-N
Canonic Smiles
Clc1cccnc1I
Isomeric Smiles
c1(c(cccn1)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.321149
LogD (pH = 7.4)
2.32115
Log P
2.32115
Molar Refractivity
41.7765
Polarizability
16.762566
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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