Molecule

ID:89879

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO₃
Molecular Mass
207.99892
Exact Mass
206.94899832
Charge
0
InChI
InChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H
InChIKey
GLNRZGZHZYONRE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(Cl)ccc(c1Cl)O
Isomeric Smiles
Oc1c(c(c(cc1)Cl)[N+](=O)[O-])Cl
Calculated Properties
JChem
Acid pKa
6.380298
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7644913
LogD (pH = 7.4)
1.7951298
Log P
2.817754
Molar Refractivity
43.969
Polarizability
16.879366
Polar Surface Area
63.37
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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