Molecule

ID:58215

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃
Molecular Mass
104.10452
Exact Mass
104.04734412
Charge
0
InChI
InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3
InChIKey
RVGLEPQPVDUSOJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCO
Isomeric Smiles
C(=O)(CCO)OC
Calculated Properties
JChem
Acid pKa
15.733656
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.65768695
LogD (pH = 7.4)
-0.65768695
Log P
-0.65768695
Molar Refractivity
23.8144
Polarizability
9.575006
Polar Surface Area
46.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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