Molecule

ID:80168

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₂O₂
Molecular Mass
213.29664
Exact Mass
213.16030292
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)
InChIKey
XQMQBVLLFMNORU-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC1CC(C)(C)[N+](C(C1)(C)C)[O-]
Isomeric Smiles
[N+]1(C(CC(CC1(C)C)NC(=O)C)(C)C)[O-]
Calculated Properties
JChem
Acid pKa
14.723636
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.15116131
LogD (pH = 7.4)
-0.15040807
Log P
-0.15039845
Molar Refractivity
59.3976
Polarizability
23.620394
Polar Surface Area
52.57
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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