Molecule

ID:52871

General Information
Structure
Molecular Formula
C₅H₈O₃
Molecular Mass
116.11522
Exact Mass
116.04734412
Charge
0
InChI
InChI=1S/C5H8O3/c1-5(4(6)7)2-8-3-5/h2-3H2,1H3,(H,6,7)
InChIKey
PMPZEEUNGQSAIQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(C)COC1
Isomeric Smiles
C1OCC1(C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.124447
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2140808
LogD (pH = 7.4)
-2.9070604
Log P
0.17635198
Molar Refractivity
26.3854
Polarizability
10.524128
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