Molecule

ID:62373

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₄
Molecular Mass
224.21328
Exact Mass
224.07970687
Charge
0
InChI
InChI=1S/C10H12N2O4/c1-11(2)8(13)6-12-5-3-4-7(9(12)14)10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKey
WECXQSWIARDNCQ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)Cn1cccc(c1=O)C(=O)O)C
Isomeric Smiles
c1(c(=O)n(CC(=O)N(C)C)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9902809
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5726414
LogD (pH = 7.4)
-4.2184443
Log P
-1.0538261
Molar Refractivity
56.7165
Polarizability
20.990286
Polar Surface Area
77.92
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