Molecule

ID:30801

General Information
Structure
Molecular Formula
C₈H₁₄N₄
Molecular Mass
166.22356
Exact Mass
166.12184647
Charge
0
InChI
InChI=1S/C8H14N4/c9-6-8-11-10-7-4-2-1-3-5-12(7)8/h1-6,9H2
InChIKey
IACZAGXWNRNOBU-UHFFFAOYSA-N
Canonic Smiles
NCc1nnc2n1CCCCC2
Isomeric Smiles
n12c(nnc1CCCCC2)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8017113
LogD (pH = 7.4)
-1.1071125
Log P
-0.44385988
Molar Refractivity
48.4641
Polarizability
17.952412
Polar Surface Area
56.73
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