Molecule

ID:42369

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₅
Molecular Mass
200.14882
Exact Mass
200.04332137
Charge
0
InChI
InChI=1S/C7H8N2O5/c1-2-14-4(10)3-9-6(12)5(11)8-7(9)13/h2-3H2,1H3,(H,8,11,13)
InChIKey
AGEBXKKZQBCBAA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1C(=O)NC(=O)C1=O
Isomeric Smiles
N1(C(=O)NC(=O)C1=O)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
7.3150654
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0058383
LogD (pH = 7.4)
-1.3389053
Log P
-0.999316
Molar Refractivity
41.9246
Polarizability
16.480385
Polar Surface Area
92.78
Rotatable Bonds
4
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