Molecule

ID:63590

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)
InChIKey
YEWPVCUHKJABMV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCOC1
Isomeric Smiles
C(=O)(C1COCCC1)O
Calculated Properties
JChem
Acid pKa
4.3547688
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8198976
LogD (pH = 7.4)
-2.568884
Log P
0.35356754
Molar Refractivity
31.2404
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