Molecule

ID:17384

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-8-6-13-14(10(8)11)7-9-2-4-12-5-3-9/h2-6H,7,11H2,1H3
InChIKey
GEORBOJAUNYVQG-UHFFFAOYSA-N
Canonic Smiles
Cc1cnn(c1N)Cc1ccncc1
Isomeric Smiles
n1(c(c(cn1)C)N)Cc1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5083971
LogD (pH = 7.4)
0.6788838
Log P
0.681693
Molar Refractivity
66.412
Polarizability
20.486383
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