Molecule

ID:129955

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₃
Molecular Mass
116.11522
Exact Mass
116.04734412
Charge
0
InChI
InChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKey
LWLOKSXSAUHTJO-IMJSIDKUSA-N
Canonic Smiles
C[C@@H]1OC(=O)O[C@H]1C
Isomeric Smiles
O=C1O[C@@H](C)[C@@H](O1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2034646
LogD (pH = 7.4)
1.2034646
Log P
1.2034646
Molar Refractivity
25.905
Polarizability
10.756112
Polar Surface Area
35.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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