Molecule

ID:37293

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂Cl₂O₄
Molecular Mass
327.15938
Exact Mass
326.01126422
Charge
0
InChI
InChI=1S/C15H12Cl2O4/c1-20-13-4-2-3-10(15(18)19)14(13)21-8-9-5-6-11(16)12(17)7-9/h2-7H,8H2,1H3,(H,18,19)
InChIKey
XKTJZJHAWHKPSC-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccc(c(c1)Cl)Cl)C(=O)O
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1cc(c(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4760327
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.233344
LogD (pH = 7.4)
0.865643
Log P
4.248049
Molar Refractivity
80.4628
Polarizability
31.132313
Polar Surface Area
55.76
Rotatable Bonds
5
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