Molecule

ID:37844

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₄
Molecular Mass
238.7166
Exact Mass
238.09852418
Charge
0
InChI
InChI=1S/C11H14N4.ClH/c1-8-2-4-9(5-3-8)11-13-10(6-7-12)14-15-11;/h2-5H,6-7,12H2,1H3,(H,13,14,15);1H
InChIKey
DRPQHNANBCPEGB-UHFFFAOYSA-N
Canonic Smiles
NCCc1[nH]nc(n1)c1ccc(cc1)C.Cl
Isomeric Smiles
c1(nc(n[nH]1)c1ccc(cc1)C)CCN.Cl
Calculated Properties
JChem
Acid pKa
11.998585
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.175273
LogD (pH = 7.4)
-0.16015242
Log P
1.9820062
Molar Refractivity
71.8716
Polarizability
23.430532
Polar Surface Area
67.59
Rotatable Bonds
3
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