Molecule

ID:68955

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₄O₂
Molecular Mass
208.21718
Exact Mass
208.09602564
Charge
0
InChI
InChI=1S/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3
InChIKey
LFHHOHMIVKIHMG-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2c(n1C)c(=O)n(c(=O)n2C)C
Isomeric Smiles
n1(c(nc2n(c(=O)n(c(=O)c12)C)C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.42258143
LogD (pH = 7.4)
-0.42258087
Log P
-0.42258087
Molar Refractivity
54.2719
Polarizability
19.614937
Polar Surface Area
58.44
Rotatable Bonds
0
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