Molecule

ID:45228

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂NO₂
Molecular Mass
194.0154
Exact Mass
192.96973377
Charge
0
InChI
InChI=1S/C6H5Cl2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3
InChIKey
QDFVSOPGBXZRSC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c(c(c1)Cl)Cl
Isomeric Smiles
c1([nH]c(c(c1)Cl)Cl)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.393248
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8992211
LogD (pH = 7.4)
1.8630687
Log P
1.899708
Molar Refractivity
42.3303
Polarizability
16.450378
Polar Surface Area
42.09
Rotatable Bonds
2
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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