Molecule

ID:51485

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₃
Molecular Mass
239.27098
Exact Mass
239.12699142
Charge
0
InChI
InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(14)9(15)7-13-12/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKey
FADVKNFSLDTPFW-MRVPVSSYSA-N
Canonic Smiles
[N-]=[N+]=CC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1([C@H](CCC1)C(=O)C=[N+]=[N-])C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
8.971238
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.0969733
LogD (pH = 7.4)
0.09437494
Log P
0.097007215
Molar Refractivity
60.1668
Polarizability
23.601885
Polar Surface Area
63.68
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