Molecule

ID:39336

General Information
Structure
Molecular Formula
C₁₅H₁₉Cl₂NO₄
Molecular Mass
348.22166
Exact Mass
347.06911345
Charge
0
InChI
InChI=1S/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKey
WJEUUKADFJNOHW-JTQLQIEISA-N
Canonic Smiles
OC(=O)C[C@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(c(ccc(c1)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
4.1716833
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5171049
LogD (pH = 7.4)
0.8101025
Log P
3.8626254
Molar Refractivity
84.2232
Polarizability
33.20408
Polar Surface Area
75.63
Rotatable Bonds
7
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