Molecule

ID:116991

General Information
Structure
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-8-2-4-9(5-3-8)14-7-12-13-10(14)6-11/h2-5,7H,6,11H2,1H3
InChIKey
WWIFSEWRLZZMJQ-UHFFFAOYSA-N
Canonic Smiles
NCc1nncn1c1ccc(cc1)C
Isomeric Smiles
n1(c(nnc1)CN)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5528874
LogD (pH = 7.4)
-0.81153435
Log P
-0.2117
Molar Refractivity
67.0642
Polarizability
21.670666
Polar Surface Area
56.73
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