Molecule

ID:16914

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₃
Molecular Mass
258.0576
Exact Mass
256.96464839
Charge
0
InChI
InChI=1S/C10H5Cl2NO3/c11-6-2-1-5(3-7(6)12)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKey
GJJPRTBPAZSUJZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1noc(c1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(c2cc(c(cc2)Cl)Cl)cc(no1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.905874
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5565058
LogD (pH = 7.4)
-0.054006565
Log P
3.1565404
Molar Refractivity
59.0075
Polarizability
23.478838
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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