Molecule

ID:64658

General Information
Structure
Molecular Formula
C₁₄H₁₃Cl₂N₃
Molecular Mass
294.17912
Exact Mass
293.04865279
Charge
0
InChI
InChI=1S/C14H13Cl2N3/c15-13-11-9-19(8-10-4-2-1-3-5-10)7-6-12(11)17-14(16)18-13/h1-5H,6-9H2
InChIKey
VYVJHDWZXQWAFS-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)CCN(C2)Cc1ccccc1
Isomeric Smiles
n1c(c2c(nc1Cl)CCN(C2)Cc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5460043
LogD (pH = 7.4)
3.1751337
Log P
3.5180895
Molar Refractivity
79.9741
Polarizability
30.159065
Polar Surface Area
29.02
Rotatable Bonds
2
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