Molecule

ID:72089

General Information
Structure
Molecular Formula
C₁₀H₁₁Cl₂NO₂
Molecular Mass
248.10584
Exact Mass
247.01668396
Charge
0
InChI
InChI=1S/C10H11Cl2NO2/c1-6(11)10(14)13-7-3-4-9(15-2)8(12)5-7/h3-6H,1-2H3,(H,13,14)
InChIKey
DXJCKGBDVUTQAN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cl)NC(=O)C(Cl)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)OC)Cl)C(Cl)C
Calculated Properties
JChem
Acid pKa
13.533842
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7634377
LogD (pH = 7.4)
2.7634373
Log P
2.7634377
Molar Refractivity
61.4361
Polarizability
23.362982
Polar Surface Area
38.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation