Molecule

ID:92426

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₄
Molecular Mass
178.23426
Exact Mass
178.12184647
Charge
0
InChI
InChI=1S/C9H14N4/c1-8-6-11-7-9(12-8)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
InChIKey
ZQAVHWZTBHGKFK-UHFFFAOYSA-N
Canonic Smiles
Cc1cncc(n1)N1CCNCC1
Isomeric Smiles
n1c(cncc1C)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.1059158
LogD (pH = 7.4)
-1.5210005
Log P
-0.16415584
Molar Refractivity
51.8332
Polarizability
19.602516
Polar Surface Area
41.05
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