Molecule
ID:123677
General Information
Molecular Formula
C₆H₁₀ClN₃
Molecular Mass
159.6167
Exact Mass
159.05632502
Charge
0
InChI
InChI=1S/C6H10ClN3/c1-4(2)3-5-8-6(7)10-9-5/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey
DIIASRYBLPCJHV-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1[nH]nc(n1)Cl)C
Isomeric Smiles
n1c(n[nH]c1CC(C)C)Cl
Calculated Properties
JChem
Acid pKa
8.899286
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0544767
LogD (pH = 7.4)
2.0414422
Log P
2.0546489
Molar Refractivity
42.6353
Polarizability
15.59255
Polar Surface Area
41.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...