Molecule

ID:45732

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(2,9(13)14)11-8(12)7-3-5-15-6-4-7/h7H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKey
UTYFQQOFIXUOCH-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCOCC1)NC(C(=O)O)(C)C
Isomeric Smiles
C(=O)(NC(C(=O)O)(C)C)C1CCOCC1
Calculated Properties
JChem
Acid pKa
3.9399543
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4733155
LogD (pH = 7.4)
-3.0985916
Log P
0.09390697
Molar Refractivity
53.4051
Polarizability
20.932104
Polar Surface Area
75.63
Rotatable Bonds
3
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