Molecule

ID:23744

General Information
Structure
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Molecular Formula
C₅H₃ClIN
Molecular Mass
239.44149
Exact Mass
238.89987478
Charge
0
InChI
InChI=1S/C5H3ClIN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
JZMJGLPDACZKBC-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(c1)I
Isomeric Smiles
c1(cncc(c1)Cl)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2885063
LogD (pH = 7.4)
2.2885618
Log P
2.2885625
Molar Refractivity
42.0684
Polarizability
16.674894
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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