Molecule

ID:41609

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₄O₂
Molecular Mass
232.23858
Exact Mass
232.09602564
Charge
0
InChI
InChI=1S/C11H12N4O2/c1-2-17-10(16)8-15-13-11(12-14-15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
BHAJMSNEZPPNKN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nnc(n1)c1ccccc1
Isomeric Smiles
n1n(nnc1c1ccccc1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1480505
LogD (pH = 7.4)
2.1480505
Log P
2.1480505
Molar Refractivity
84.2385
Polarizability
23.807579
Polar Surface Area
69.9
Rotatable Bonds
5
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