Molecule

ID:17312

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂O₂
Molecular Mass
289.15776
Exact Mass
288.04323306
Charge
0
InChI
InChI=1S/C12H14Cl2N2O2/c13-8-12(17)15-9-1-2-11(10(14)7-9)16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKey
JLZNAOAJNZLXGG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(c(c1)Cl)N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)c(cc(cc1)NC(=O)CCl)Cl
Calculated Properties
JChem
Acid pKa
14.370109
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.241888
LogD (pH = 7.4)
2.241888
Log P
2.241888
Molar Refractivity
73.9821
Polarizability
27.466455
Polar Surface Area
41.57
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