Molecule

ID:62274

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClN₅
Molecular Mass
277.75264
Exact Mass
277.10942322
Charge
0
InChI
InChI=1S/C13H15N5.ClH/c14-12-5-9(2-4-17-12)11-7-16-8-18-13(11)10-1-3-15-6-10;/h2,4-5,7-8,10,15H,1,3,6H2,(H2,14,17);1H
InChIKey
COPWKSBJOFXJCX-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(c1)c1cncnc1C1CNCC1.Cl
Isomeric Smiles
c1(c(ncnc1)C1CNCC1)c1cc(ncc1)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.6886554
LogD (pH = 7.4)
-2.8237598
Log P
0.19110683
Molar Refractivity
70.9836
Polarizability
27.831379
Polar Surface Area
76.72
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