Molecule

ID:25263

General Information
Structure
Molecular Formula
C₇H₁₀N₂O₄
Molecular Mass
186.1653
Exact Mass
186.06405681
Charge
0
InChI
InChI=1S/C7H10N2O4/c1-7(2)5(12)8-6(13)9(7)3-4(10)11/h3H2,1-2H3,(H,10,11)(H,8,12,13)
InChIKey
SOIADDHHXRYVFW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)NC(=O)C1(C)C
Isomeric Smiles
C1(=O)NC(=O)C(N1CC(=O)O)(C)C
Calculated Properties
JChem
Acid pKa
3.620721
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6224003
LogD (pH = 7.4)
-4.083095
Log P
-0.747031
Molar Refractivity
41.2346
Polarizability
16.063112
Polar Surface Area
86.71
Rotatable Bonds
2
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