Molecule

ID:54584

General Information
Structure
Molecular Formula
C₆H₂Cl₂INO
Molecular Mass
301.89665
Exact Mass
300.85581705
Charge
0
InChI
InChI=1S/C6H2Cl2INO/c7-4-1-3(2-11)5(8)10-6(4)9/h1-2H
InChIKey
UWBIGQSFURXXAZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)c(nc1Cl)I
Isomeric Smiles
c1(c(nc(c(c1)C=O)Cl)I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8578744
LogD (pH = 7.4)
2.8578744
Log P
2.8578744
Molar Refractivity
54.2266
Polarizability
20.815624
Polar Surface Area
29.96
Rotatable Bonds
1
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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