Molecule

ID:78010

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NaO₂
Molecular Mass
212.99329
Exact Mass
211.94077898
Charge
0
InChI
InChI=1S/C7H4Cl2O2.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChIKey
LZSRENODTOCXKJ-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1c(Cl)cccc1Cl.[Na+]
Isomeric Smiles
O=C(c1c(cccc1Cl)Cl)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
2.0597904
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.342759
LogD (pH = 7.4)
-0.68388796
Log P
2.838918
Molar Refractivity
53.7609
Polarizability
16.438728
Polar Surface Area
40.13
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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