Molecule

ID:68227

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄
Molecular Mass
192.26084
Exact Mass
192.13749653
Charge
0
InChI
InChI=1S/C10H16N4/c1-8-7-9(13-10(11)12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H2,11,12,13)
InChIKey
ZWVDHBALCSTSJN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nc(n1)N)N1CCCCC1
Isomeric Smiles
c1(nc(cc(n1)C)N1CCCCC1)N
Calculated Properties
JChem
Acid pKa
17.022804
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.25890538
LogD (pH = 7.4)
0.8753782
Log P
1.5838332
Molar Refractivity
58.8443
Polarizability
21.05585
Polar Surface Area
55.04
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