Molecule
ID:78012
General Information
Molecular Formula
C₇H₃Cl₂NaO₂
Molecular Mass
212.99329
Exact Mass
211.94077898
Charge
0
InChI
InChI=1S/C7H4Cl2O2.Na/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);/q;+1/p-1
InChIKey
ZWRKXVDNMWYZRT-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1cc(Cl)cc(c1)Cl.[Na+]
Isomeric Smiles
[O-]C(=O)c1cc(cc(c1)Cl)Cl.[Na+]
Calculated Properties
JChem
Acid pKa
3.718445
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0579318
LogD (pH = 7.4)
-0.45902982
Log P
2.838918
Molar Refractivity
53.7609
Polarizability
16.434519
Polar Surface Area
40.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...