Molecule

ID:105775

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂NNaO₂
Molecular Mass
290.07731
Exact Mass
288.96732808
Charge
0
InChI
InChI=1S/C12H7Cl2NO2.Na/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7;/h1-6,16H;/q;+1/p-1
InChIKey
CVSUAFOWIXUYQA-UHFFFAOYSA-M
Canonic Smiles
[Na]Oc1ccc(cc1)/N=C/1\C=C(Cl)C(=O)C(=C1)Cl
Isomeric Smiles
[Na]Oc1ccc(cc1)/N=C\1/C=C(Cl)C(=O)C(=C1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8714979
LogD (pH = 7.4)
3.8715
Log P
3.8715
Molar Refractivity
70.1235
Polarizability
27.025286
Polar Surface Area
38.66
Rotatable Bonds
2
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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