Molecule

ID:30677

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H16ClN3.ClH/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12;/h2-3,8H,4-7,13H2,1H3;1H
InChIKey
OGALTJHGPZGBRS-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1Cl)N.Cl
Isomeric Smiles
N1(c2c(cc(cc2)N)Cl)CCN(CC1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.062128644
LogD (pH = 7.4)
1.5447863
Log P
1.7035279
Molar Refractivity
66.0419
Polarizability
24.479053
Polar Surface Area
32.5
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