Molecule

ID:104222

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1
InChIKey
LPEKGGXMPWTOCB-GSVOUGTGSA-N
Canonic Smiles
COC(=O)[C@H](O)C
Isomeric Smiles
COC(=O)[C@@H](C)O
Calculated Properties
JChem
Acid pKa
13.000628
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32593548
LogD (pH = 7.4)
-0.32593656
Log P
-0.32593545
Molar Refractivity
23.6089
Polarizability
9.575006
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...