Molecule

ID:64946

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₃
Molecular Mass
159.6167
Exact Mass
159.05632502
Charge
0
InChI
InChI=1S/C6H9N3.ClH/c1-2-7-4-6-5(1)3-8-9-6;/h3,7H,1-2,4H2,(H,8,9);1H
InChIKey
MGEFXKKDBHBPEO-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)cn[nH]2.Cl
Isomeric Smiles
C1NCc2[nH]ncc2C1.Cl
Calculated Properties
JChem
Acid pKa
14.869237
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8773112
LogD (pH = 7.4)
-1.1614128
Log P
-0.20433173
Molar Refractivity
36.1805
Polarizability
13.375411
Polar Surface Area
40.71
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