Molecule

ID:64733

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉N₃
Molecular Mass
195.21996
Exact Mass
195.0796473
Charge
0
InChI
InChI=1S/C12H9N3/c1-2-6-10(7-3-1)12-11-8-4-5-9-15(11)14-13-12/h1-9H
InChIKey
CNTOUGGARXCZSF-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nnn2c1cccc2
Isomeric Smiles
n1c(c2n(n1)cccc2)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1553817
LogD (pH = 7.4)
3.1553829
Log P
3.1553829
Molar Refractivity
69.0991
Polarizability
24.12138
Polar Surface Area
30.19
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