Molecule

ID:115884

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-16-10(14)6-9-11(15)13-8-5-3-2-4-7(8)12-9/h2-5,9,12H,6H2,1H3,(H,13,15)
InChIKey
JRQLPLNTXLZLIN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1Nc2ccccc2NC1=O
Isomeric Smiles
N1C(=O)C(Nc2c1cccc2)CC(=O)OC
Calculated Properties
JChem
Acid pKa
13.091771
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4578772
LogD (pH = 7.4)
0.45790848
Log P
0.45790973
Molar Refractivity
59.8541
Polarizability
21.950918
Polar Surface Area
67.43
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