Molecule

ID:13688

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO₂
Molecular Mass
191.99952
Exact Mass
190.9540837
Charge
0
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChIKey
RNRLTTNKVLFZJS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc(c(c1)Cl)Cl
Isomeric Smiles
c1(C(=O)O)cc(c(nc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.7152758
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.057371583
LogD (pH = 7.4)
-1.4578328
Log P
1.8414228
Molar Refractivity
41.8282
Polarizability
15.825355
Polar Surface Area
50.19
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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