Molecule

ID:90747

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₅
Molecular Mass
233.26156
Exact Mass
233.12632271
Charge
0
InChI
InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m0/s1
InChIKey
VWSUOKFUIPMDDX-NKWVEPMBSA-N
Canonic Smiles
CO[C@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
O([C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
3.9349575
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.64584196
LogD (pH = 7.4)
-2.269003
Log P
0.9261776
Molar Refractivity
56.084
Polarizability
22.387972
Polar Surface Area
84.86
Rotatable Bonds
6
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