Molecule

ID:42732

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₄
Molecular Mass
189.209
Exact Mass
189.10010797
Charge
0
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-4-6(10)5-12-9/h6,10H,4-5H2,1-3H3
InChIKey
VSQPEDPYPBOLOK-UHFFFAOYSA-N
Canonic Smiles
OC1CON(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)OCC(C1)O
Calculated Properties
JChem
Acid pKa
13.921863
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.43955764
LogD (pH = 7.4)
0.4395575
Log P
0.43955764
Molar Refractivity
45.0322
Polarizability
18.063429
Polar Surface Area
59.0
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