Molecule

ID:35171

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-5-15-11(14)9-6(2)10(8(4)13)12-7(9)3/h12H,5H2,1-4H3
InChIKey
ZCNAULQFSXEJTD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)C
Isomeric Smiles
c1(c(c([nH]c1C)C(=O)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.350735
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6040456
LogD (pH = 7.4)
1.6040035
Log P
1.6040462
Molar Refractivity
58.0619
Polarizability
21.596428
Polar Surface Area
59.16
Rotatable Bonds
4
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