Molecule

ID:15139

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H15N3.2ClH/c12-8-4-3-7-11-13-9-5-1-2-6-10(9)14-11;;/h1-2,5-6H,3-4,7-8,12H2,(H,13,14);2*1H
InChIKey
YDRREYUUGJGECO-UHFFFAOYSA-N
Canonic Smiles
NCCCCc1nc2c([nH]1)cccc2.Cl.Cl
Isomeric Smiles
c12c(nc([nH]1)CCCCN)cccc2.Cl.Cl
Calculated Properties
JChem
Acid pKa
12.554052
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2850661
LogD (pH = 7.4)
-1.1995959
Log P
1.4286815
Molar Refractivity
56.8243
Polarizability
23.519758
Polar Surface Area
54.7
Rotatable Bonds
4
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