Molecule

ID:54837

General Information
Structure
Molecular Formula
C₁₆H₁₄Cl₂N₂O₄
Molecular Mass
369.19936
Exact Mass
368.0330623
Charge
0
InChI
InChI=1S/C16H14Cl2N2O4/c1-9-15(17)13(23-19-9)7-21-11-5-3-4-6-12(11)22-8-14-16(18)10(2)20-24-14/h3-6H,7-8H2,1-2H3
InChIKey
UWCZSBKZDIBKCQ-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)noc1COc1ccccc1OCc1onc(c1Cl)C
Isomeric Smiles
c1(ccccc1OCc1c(c(no1)C)Cl)OCc1c(c(no1)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1467714
LogD (pH = 7.4)
3.1467721
Log P
3.1467721
Molar Refractivity
89.6412
Polarizability
34.05048
Polar Surface Area
70.52
Rotatable Bonds
6
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