Molecule

ID:62969

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂Cl₂N₄
Molecular Mass
293.23588
Exact Mass
292.12215208
Charge
0
InChI
InChI=1S/C12H20N4.2ClH/c1-9-14-11(8-12(15-9)16(2)3)10-6-4-5-7-13-10;;/h8,10,13H,4-7H2,1-3H3;2*1H
InChIKey
WLPXOXQLHZMLGD-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)N(C)C)C1CCCCN1.Cl.Cl
Isomeric Smiles
c1(nc(nc(c1)C1NCCCC1)C)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6459284
LogD (pH = 7.4)
1.1057591
Log P
2.036662
Molar Refractivity
66.7019
Polarizability
25.122831
Polar Surface Area
41.05
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