Molecule

ID:124010

General Information
Structure
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
GWQAKTJQXQZZNO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(N)c(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(c(c1)N)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.763738
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.26744345
LogD (pH = 7.4)
-1.2710342
Log P
2.0099921
Molar Refractivity
47.6242
Polarizability
17.722507
Polar Surface Area
63.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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