Molecule

ID:25269

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₂O₄
Molecular Mass
237.23192
Exact Mass
237.08753191
Charge
0
InChI
InChI=1S/C11H14N2O4/c14-11(15)8-4-3-5-9(13(16)17)10(8)12-6-1-2-7-12/h3-5,13,16H,1-2,6-7H2,(H,14,15)
InChIKey
DZJALWWDVXTHRD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1N1CCCC1)[N+](O)[O-]
Isomeric Smiles
C(=O)(c1c(c(ccc1)[N+]([O-])O)N1CCCC1)O
Calculated Properties
JChem
Acid pKa
5.067154
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.014417707
LogD (pH = 7.4)
-1.7247283
Log P
0.58341056
Molar Refractivity
63.8477
Polarizability
22.88984
Polar Surface Area
84.24
Rotatable Bonds
3
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