Molecule

ID:15465

General Information
Structure
Molecular Formula
C₆H₃Cl₂NO₂
Molecular Mass
191.99952
Exact Mass
190.9540837
Charge
0
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
InChIKey
JYKZCYLZWZCQFP-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)Cl)C(=O)O
Isomeric Smiles
C(=O)(c1ncc(cc1Cl)Cl)O
Calculated Properties
JChem
Acid pKa
3.3075802
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.19281514
LogD (pH = 7.4)
-1.4227206
Log P
2.007096
Molar Refractivity
40.3949
Polarizability
15.779738
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
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Molecule Details
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References
Bioactivity
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