Molecule

ID:14762

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₂
Molecular Mass
218.212
Exact Mass
218.08037558
Charge
0
InChI
InChI=1S/C10H10N4O2/c1-7-11-12-13-14(7)9-4-2-8(3-5-9)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKey
JFLVCYOJCVLGDE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)n1nnnc1C
Isomeric Smiles
c1(n2c(nnn2)C)ccc(cc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.8945491
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.8394843
LogD (pH = 7.4)
-2.4449248
Log P
0.7714832
Molar Refractivity
58.7412
Polarizability
21.647661
Polar Surface Area
80.9
Rotatable Bonds
3
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