Molecule

ID:130751

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₃
Molecular Mass
223.26828
Exact Mass
223.12084341
Charge
0
InChI
InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
InChIKey
LIAWQASKBFCRNR-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NC(=O)CC(O)C
Isomeric Smiles
CCOc1ccc(cc1)NC(=O)CC(C)O
Calculated Properties
JChem
Acid pKa
14.577764
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2464325
LogD (pH = 7.4)
1.2464325
Log P
1.2464325
Molar Refractivity
62.9532
Polarizability
23.874886
Polar Surface Area
58.56
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