Molecule

ID:75677

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₃
Molecular Mass
258.0576
Exact Mass
256.96464839
Charge
0
InChI
InChI=1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15)
InChIKey
GFJOSDQVNCMKER-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)c1ocnc1C(=O)O
Isomeric Smiles
n1coc(c1C(=O)O)c1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.904757
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1327735
LogD (pH = 7.4)
-0.47724205
Log P
2.7338862
Molar Refractivity
58.2749
Polarizability
23.465796
Polar Surface Area
63.33
Rotatable Bonds
2
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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