Molecule

ID:123763

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₄
Molecular Mass
250.25056
Exact Mass
250.09535694
Charge
0
InChI
InChI=1S/C12H14N2O4/c15-11(16)9-3-1-2-4-10(9)13-12(17)14-5-7-18-8-6-14/h1-4H,5-8H2,(H,13,17)(H,15,16)
InChIKey
SKDLDQTXYBOMRY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCOCC1)Nc1ccccc1C(=O)O
Isomeric Smiles
C(=O)(Nc1c(C(=O)O)cccc1)N1CCOCC1
Calculated Properties
JChem
Acid pKa
3.5305617
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.54842913
LogD (pH = 7.4)
-1.9521865
Log P
1.4138452
Molar Refractivity
65.7218
Polarizability
24.242918
Polar Surface Area
78.87
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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