Molecule

ID:11318

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃
Molecular Mass
111.14506
Exact Mass
111.0796473
Charge
0
InChI
InChI=1S/C5H9N3/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3,(H,7,8)
InChIKey
LNVWRBNPXCUYJI-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1N)C
Isomeric Smiles
c1(c([nH]nc1C)C)N
Calculated Properties
JChem
Acid pKa
18.523449
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.2220163
LogD (pH = 7.4)
-0.22058296
Log P
-0.22056465
Molar Refractivity
34.187
Polarizability
11.801503
Polar Surface Area
54.7
Rotatable Bonds
0
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