Molecule

ID:78199

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂IN
Molecular Mass
287.91313
Exact Mass
286.87655249
Charge
0
InChI
InChI=1S/C6H4Cl2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
YJRSMJTVXWBFJJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)I)N
Isomeric Smiles
Nc1c(cc(cc1I)Cl)Cl
Calculated Properties
JChem
Acid pKa
18.345442
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2813342
LogD (pH = 7.4)
3.2813535
Log P
3.2813537
Molar Refractivity
53.7305
Polarizability
20.611536
Polar Surface Area
26.02
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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