Molecule

ID:62578

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₄
Molecular Mass
213.2304
Exact Mass
213.10010797
Charge
0
InChI
InChI=1S/C10H15NO4/c1-15-10(14)6-9(13)7-11-4-2-8(12)3-5-11/h2-7H2,1H3
InChIKey
GBEZILBDTHHNAD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)CN1CCC(=O)CC1
Isomeric Smiles
N1(CC(=O)CC(=O)OC)CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
10.66163
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.23559196
LogD (pH = 7.4)
0.25174317
Log P
0.018864125
Molar Refractivity
53.2124
Polarizability
20.932653
Polar Surface Area
63.68
Rotatable Bonds
5
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