Molecule
ID:85130
General Information
Molecular Formula
C₂₅H₁₅Cl₂N₃O₂
Molecular Mass
460.3115
Exact Mass
459.0541321
Charge
0
InChI
InChI=1S/C25H15Cl2N3O2/c26-21-19(16-10-4-1-5-11-16)22(27)28-23-20(21)24(31)30(18-14-8-3-9-15-18)25(32)29(23)17-12-6-2-7-13-17/h1-15H
InChIKey
GAFRTJSWTRZKOZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(c(c1c1ccccc1)Cl)c(=O)n(c(=O)n2c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)n(c2c(c(c(c(n2)Cl)c2ccccc2)Cl)c1=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.602884
LogD (pH = 7.4)
6.602884
Log P
6.602884
Molar Refractivity
125.3076
Polarizability
48.711
Polar Surface Area
53.51
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...