Molecule

ID:105239

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂NNaO₂
Molecular Mass
318.13047
Exact Mass
316.99862821
Charge
0
InChI
InChI=1S/C14H11Cl2NO2.Na/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19;/h2-7,17H,1H3,(H,18,19);/q;+1/p-1
InChIKey
OGPIIGMUPMPMNT-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C.[Na+]
Isomeric Smiles
[Na+].Cc1c(Cl)c(Nc2c(cccc2)C(=O)[O-])c(Cl)cc1
Calculated Properties
JChem
Acid pKa
3.78693
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.377445
LogD (pH = 7.4)
2.8239293
Log P
6.092265
Molar Refractivity
87.2883
Polarizability
28.843933
Polar Surface Area
52.16
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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