Molecule

ID:7502

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClINO₂
Molecular Mass
283.45099
Exact Mass
282.88970402
Charge
0
InChI
InChI=1S/C6H3ClINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChIKey
FQXFHRSYMORXKN-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)Cl)I
Isomeric Smiles
c1c(c(cc(c1)[N+](=O)[O-])Cl)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4462192
LogD (pH = 7.4)
3.4462192
Log P
3.4462192
Molar Refractivity
50.5458
Polarizability
19.5924
Polar Surface Area
43.14
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
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Molecule Details
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References
Bioactivity
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