Molecule

ID:48505

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₃
Molecular Mass
163.21962
Exact Mass
163.11094743
Charge
0
InChI
InChI=1S/C9H13N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7,10H2
InChIKey
DPASXGNZPSLEBK-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1N1CCCC1
Isomeric Smiles
c1(N2CCCC2)ncccc1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.17582968
LogD (pH = 7.4)
0.8931387
Log P
1.0349463
Molar Refractivity
50.8846
Polarizability
18.345148
Polar Surface Area
42.15
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
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation