Molecule

ID:116474

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N₃
Molecular Mass
151.20892
Exact Mass
151.11094743
Charge
0
InChI
InChI=1S/C8H13N3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4,11H,5-6,9-10H2
InChIKey
AFQWAHPEBNLBGZ-UHFFFAOYSA-N
Canonic Smiles
NCCNc1ccccc1N
Isomeric Smiles
c1(c(N)cccc1)NCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.206831
LogD (pH = 7.4)
-2.337638
Log P
-0.17988582
Molar Refractivity
48.902
Polarizability
17.828154
Polar Surface Area
64.07
Rotatable Bonds
3
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