Molecule

ID:78718

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₄
Molecular Mass
281.1406
Exact Mass
280.0282517
Charge
0
InChI
InChI=1S/C12H10Cl2N4/c13-10-15-11(14)17-12(16-10)18-7-3-5-8-4-1-2-6-9(8)18/h1-2,4,6H,3,5,7H2
InChIKey
AJEQBHHBPKBVHV-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(n1)Cl)N1CCCc2c1cccc2
Isomeric Smiles
n1c(nc(nc1N1c2ccccc2CCC1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4996777
LogD (pH = 7.4)
4.4996777
Log P
4.4996777
Molar Refractivity
74.7583
Polarizability
27.161787
Polar Surface Area
41.91
Rotatable Bonds
1
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation