Molecule

ID:11007

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c13-6-4-12(5-7-14)10-3-1-2-9(8-10)11(15)16/h1-3,8,13-14H,4-7H2,(H,15,16)
InChIKey
WJQCXGJUJSZNOO-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1cccc(c1)C(=O)O)CCO
Isomeric Smiles
C(=O)(c1cc(N(CCO)CCO)ccc1)O
Calculated Properties
JChem
Acid pKa
4.754559
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.4579538
LogD (pH = 7.4)
-2.234548
Log P
0.35866857
Molar Refractivity
60.3274
Polarizability
22.451517
Polar Surface Area
81.0
Rotatable Bonds
6
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