Molecule

ID:105139

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₂NNaO₃
Molecular Mass
280.03943
Exact Mass
278.94659263
Charge
0
InChI
InChI=1S/C10H5Cl2NO3.Na/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14;/h1-3H,(H,13,14)(H,15,16);/q;+1/p-1
InChIKey
VPRPMJHKWHCUFW-UHFFFAOYSA-M
Canonic Smiles
Clc1cc(Cl)c2c(c1)nc(cc2O)C(=O)[O-].[Na+]
Isomeric Smiles
[Na+].Oc1cc(nc2c1c(Cl)cc(Cl)c2)C(=O)[O-]
Calculated Properties
JChem
Acid pKa
3.8180823
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1191936
LogD (pH = 7.4)
-0.28538114
Log P
3.0788577
Molar Refractivity
69.2911
Polarizability
23.624863
Polar Surface Area
73.25
Rotatable Bonds
1
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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