Molecule

ID:42443

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂N₄
Molecular Mass
224.26118
Exact Mass
224.1061964
Charge
0
InChI
InChI=1S/C13H12N4/c14-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9,14H2
InChIKey
GJSIHNFDWYIROW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cn1nnc2c1cccc2
Isomeric Smiles
n1n(c2c(n1)cccc2)Cc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2858186
LogD (pH = 7.4)
2.320051
Log P
2.3205054
Molar Refractivity
78.5871
Polarizability
26.29563
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