Molecule

ID:35294

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c1-4-16-11(15)9-5-7(2)12(8(9)3)6-10(13)14/h5H,4,6H2,1-3H3,(H,13,14)
InChIKey
FEPDGYZIZNYFGD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)CC(=O)O)C
Isomeric Smiles
c1(c(n(c(c1)C)CC(=O)O)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
3.9813213
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.013226008
LogD (pH = 7.4)
-1.6554886
Log P
1.5141969
Molar Refractivity
58.8714
Polarizability
22.098358
Polar Surface Area
68.53
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