Molecule

ID:60638

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₄
Molecular Mass
132.11462
Exact Mass
132.04225874
Charge
0
InChI
InChI=1S/C5H8O4/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H,6,7)
InChIKey
VGBAYGFELCUXBS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1COCCO1
Isomeric Smiles
C1COC(CO1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5331256
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3638175
LogD (pH = 7.4)
-3.769237
Log P
-0.40401143
Molar Refractivity
27.9169
Polarizability
11.299419
Polar Surface Area
55.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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