Molecule

ID:79160

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-8-7-11-10(9(2)12-8)13-5-3-4-6-13/h3-7H,1-2H3
InChIKey
JGFXQZXPVSRIBP-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(n1)C)n1cccc1
Isomeric Smiles
n1c(c(nc(c1)C)C)n1cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9776026
LogD (pH = 7.4)
0.9777975
Log P
0.9778
Molar Refractivity
60.9931
Polarizability
19.376167
Polar Surface Area
30.71
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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