Molecule

ID:82297

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NO₃
Molecular Mass
262.08936
Exact Mass
260.99594851
Charge
0
InChI
InChI=1S/C10H9Cl2NO3/c1-2-16-10(15)9(14)13-6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3,(H,13,14)
InChIKey
JQZHOIOSYYGPCS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
N(c1cc(c(cc1)Cl)Cl)C(=O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.606101
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1146717
LogD (pH = 7.4)
3.1144183
Log P
3.114675
Molar Refractivity
61.8432
Polarizability
23.575415
Polar Surface Area
55.4
Rotatable Bonds
4
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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