Molecule

ID:136456

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄
Molecular Mass
120.10392
Exact Mass
120.04225874
Charge
0
InChI
InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)
InChIKey
VDNMIIDPBBCMTM-UHFFFAOYSA-N
Canonic Smiles
OCCOCC(=O)O
Isomeric Smiles
C(C(=O)O)OCCO
Calculated Properties
JChem
Acid pKa
3.716658
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.8702822
LogD (pH = 7.4)
-4.3862543
Log P
-1.0875692
Molar Refractivity
25.3894
Polarizability
10.125124
Polar Surface Area
66.76
Rotatable Bonds
4
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
References
Bioactivity
Navigation