Molecule

ID:31318

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl₂N₃
Molecular Mass
198.09352
Exact Mass
197.04865279
Charge
0
InChI
InChI=1S/C6H11N3.2ClH/c1-2-3-9-5-6(7)4-8-9;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKey
VUTNEZJAWQMUNN-UHFFFAOYSA-N
Canonic Smiles
CCCn1ncc(c1)N.Cl.Cl
Isomeric Smiles
n1n(cc(c1)N)CCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.45147124
LogD (pH = 7.4)
0.45150977
Log P
0.45151028
Molar Refractivity
48.9344
Polarizability
13.716142
Polar Surface Area
43.84
Rotatable Bonds
2
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