Molecule

ID:34483

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O₃
Molecular Mass
234.2114
Exact Mass
234.0752902
Charge
0
InChI
InChI=1S/C10H10N4O3/c1-7(10(15)16)17-9-4-2-3-8(5-9)14-6-11-12-13-14/h2-7H,1H3,(H,15,16)
InChIKey
GXJLZCCLIHGQPW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1cccc(c1)n1cnnn1)C
Isomeric Smiles
n1(nnnc1)c1cccc(c1)OC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2583928
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.3225316
LogD (pH = 7.4)
-2.5348425
Log P
0.8997464
Molar Refractivity
60.0346
Polarizability
22.447584
Polar Surface Area
90.13
Rotatable Bonds
4
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