Molecule
ID:48517
General Information
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c12-10-6-5-7-13-11(10)14-8-3-1-2-4-9-14/h5-7H,1-4,8-9,12H2
InChIKey
DLQKPQFEDNKZME-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1N1CCCCCC1
Isomeric Smiles
c1(N2CCCCCC2)ncccc1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7133003
LogD (pH = 7.4)
1.7822716
Log P
1.9240836
Molar Refractivity
60.0866
Polarizability
22.031488
Polar Surface Area
42.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...