Molecule

ID:32060

General Information
Structure
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)
InChIKey
AVPKHOTUOHDTLW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCOCC1
Isomeric Smiles
C1CC(CCO1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.3845825
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9481661
LogD (pH = 7.4)
-2.7021794
Log P
0.19766007
Molar Refractivity
31.3944
Polarizability
12.337922
Polar Surface Area
46.53
Rotatable Bonds
1
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