Molecule

ID:133284

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₃O₅
Molecular Mass
247.24838
Exact Mass
247.11682066
Charge
0
InChI
InChI=1S/C9H17N3O5/c1-4(13)7(11)8(15)12-5(9(16)17)2-3-6(10)14/h4-5,7,13H,2-3,11H2,1H3,(H2,10,14)(H,12,15)(H,16,17)
InChIKey
BWUHENPAEMNGQJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCC(C(=O)O)NC(=O)C(C(O)C)N
Isomeric Smiles
CC(C(C(=O)NC(CCC(=O)N)C(=O)O)N)O
Calculated Properties
JChem
Acid pKa
3.5072505
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-5.170392
LogD (pH = 7.4)
-5.2723956
Log P
-5.1712346
Molar Refractivity
56.3698
Polarizability
22.59944
Polar Surface Area
155.74
Rotatable Bonds
7
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