Molecule

ID:37027

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10-2-3-11-9(6-10)7-14-4-5-15-11/h2-3,6H,4-5,7H2,1H3,(H,12,13)
InChIKey
RZLYWIHGYXJSQY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)COCCO2
Isomeric Smiles
c1cc(cc2c1OCCOC2)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.838567
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7575367
LogD (pH = 7.4)
0.7575367
Log P
0.7575367
Molar Refractivity
56.9823
Polarizability
21.382795
Polar Surface Area
47.56
Rotatable Bonds
1
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