Molecule

ID:113110

General Information
Structure
MolImage
Molecular Formula
C₈H₃Cl₂NO₂
Molecular Mass
216.02092
Exact Mass
214.9540837
Charge
0
InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey
AYGGQJHJRFZDFH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)C(=O)C(=O)N2
Isomeric Smiles
c12c(NC(=O)C1=O)c(cc(c2)Cl)Cl
Calculated Properties
JChem
Acid pKa
8.378118
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.809087
LogD (pH = 7.4)
2.7684743
Log P
2.809633
Molar Refractivity
50.0846
Polarizability
18.452652
Polar Surface Area
46.17
Rotatable Bonds
0
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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