Molecule

ID:42783

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-2-14-10(13)8-7(5-15-11-8)9(12)6-3-4-6/h5-6H,2-4H2,1H3
InChIKey
RVVIFCSUZZBKEQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nocc1C(=O)C1CC1
Isomeric Smiles
c1(c(noc1)C(=O)OCC)C(=O)C1CC1
Calculated Properties
JChem
Acid pKa
15.661165
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2213702
LogD (pH = 7.4)
1.2213702
Log P
1.2213702
Molar Refractivity
51.7039
Polarizability
19.411993
Polar Surface Area
69.4
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