Molecule

ID:117529

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₄O
Molecular Mass
192.21778
Exact Mass
192.10111102
Charge
0
InChI
InChI=1S/C9H12N4O/c1-6(14)12-7-2-4-8(5-3-7)13-9(10)11/h2-5H,1H3,(H,12,14)(H4,10,11,13)
InChIKey
DMGVDCFBSMNYKP-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccc(cc1)NC(=O)C
Isomeric Smiles
C(=N)(Nc1ccc(NC(=O)C)cc1)N
Calculated Properties
JChem
Acid pKa
15.653882
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-2.2272809
LogD (pH = 7.4)
-2.0287275
Log P
0.1849492
Molar Refractivity
67.0548
Polarizability
20.056047
Polar Surface Area
91.0
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