Molecule

ID:14070

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₃
Molecular Mass
258.0576
Exact Mass
256.96464839
Charge
0
InChI
InChI=1S/C10H5Cl2NO3/c11-6-2-1-4-8(7(6)12)13-3-5(9(4)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
HVXHDYSWCHQWBD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c[nH]c2c(c1=O)ccc(c2Cl)Cl
Isomeric Smiles
c12c(c(c(cc2)Cl)Cl)[nH]cc(c1=O)C(=O)O
Calculated Properties
JChem
Acid pKa
5.2154784
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.2945366
LogD (pH = 7.4)
1.1464262
Log P
2.7452624
Molar Refractivity
60.7026
Polarizability
22.38907
Polar Surface Area
66.4
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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