Molecule

ID:16252

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClIN
Molecular Mass
239.44149
Exact Mass
238.89987478
Charge
0
InChI
InChI=1S/C5H3ClIN/c6-5-2-1-4(7)3-8-5/h1-3H
InChIKey
QWLGCWXSNYKKDO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)I
Isomeric Smiles
c1(cnc(cc1)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5087392
LogD (pH = 7.4)
2.5087397
Log P
2.5087397
Molar Refractivity
43.1297
Polarizability
16.714169
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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