Molecule

ID:111353

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅N₃
Molecular Mass
261.3211
Exact Mass
261.1265975
Charge
0
InChI
InChI=1S/C17H15N3/c1-13-6-2-5-9-17(13)19-20-18-16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,18,19)
InChIKey
LRBUXXNEYYTLBV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1/N=N/Nc1ccc2c(c1)cccc2
Isomeric Smiles
Cc1ccccc1/N=N/Nc1ccc2ccccc2c1
Calculated Properties
JChem
Acid pKa
19.040148
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.4227204
LogD (pH = 7.4)
5.424876
Log P
5.4249134
Molar Refractivity
86.8747
Polarizability
32.08486
Polar Surface Area
36.75
Rotatable Bonds
3
Lipinski's Rule of Five
false
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