Molecule

ID:90864

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)5(7(11)12)6(9)10-3/h2H,1H3,(H,11,12)
InChIKey
CIVCELMLGDGMKZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)c(c(n1)Cl)C(=O)O
Isomeric Smiles
n1c(c(c(cc1C)Cl)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.5314708
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.0109263025
LogD (pH = 7.4)
-1.3931038
Log P
1.972793
Molar Refractivity
46.4197
Polarizability
17.557705
Polar Surface Area
50.19
Rotatable Bonds
1
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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