Molecule

ID:131505

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁Cl₂NNaO₂
Molecular Mass
319.13841
Exact Mass
318.00645324
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);
InChIKey
MFQMZIAYWCPXGM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Nc1c(Cl)ccc(c1Cl)C.[Na]
Isomeric Smiles
Cc1ccc(c(c1Cl)Nc1ccccc1C(=O)O)Cl.[Na]
Calculated Properties
JChem
Acid pKa
3.78693
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.377445
LogD (pH = 7.4)
2.8239293
Log P
6.092265
Molar Refractivity
76.4512
Polarizability
28.932564
Polar Surface Area
49.33
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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