Molecule

ID:10206

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₃
Molecular Mass
193.19924
Exact Mass
193.07389322
Charge
0
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3
InChIKey
PCJNYGPKMQQCPX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1ccncc1
Isomeric Smiles
c1cnccc1C(=O)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
10.299278
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7069772
LogD (pH = 7.4)
0.7075898
Log P
0.70815134
Molar Refractivity
50.1657
Polarizability
19.48409
Polar Surface Area
56.26
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