Molecule

ID:30247

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂N₃
Molecular Mass
260.1629
Exact Mass
259.06430286
Charge
0
InChI
InChI=1S/C11H13N3.2ClH/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11;;/h3-7H,12H2,1-2H3;2*1H
InChIKey
BJVKACBNQKOGPM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1nc(cc1C)C.Cl.Cl
Isomeric Smiles
n1(nc(cc1C)C)c1ccc(N)cc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4122001
LogD (pH = 7.4)
1.5588362
Log P
1.5610698
Molar Refractivity
58.8613
Polarizability
22.084743
Polar Surface Area
43.84
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