Molecule

ID:117061

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄
Molecular Mass
202.25566
Exact Mass
202.12184647
Charge
0
InChI
InChI=1S/C11H14N4/c1-9-13-14-11(8-12-2)15(9)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3
InChIKey
MZBPDOOLXWDJFC-UHFFFAOYSA-N
Canonic Smiles
CNCc1nnc(n1c1ccccc1)C
Isomeric Smiles
n1(c(nnc1C)CNC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2577422
LogD (pH = 7.4)
-0.524526
Log P
0.0122
Molar Refractivity
71.2383
Polarizability
23.517666
Polar Surface Area
42.74
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