Molecule

ID:91024

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₄
Molecular Mass
146.1412
Exact Mass
146.0579088
Charge
0
InChI
InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6+
InChIKey
LRUBQXAKGXQBHA-FBXFSONDSA-N
Canonic Smiles
O[C@@H]1[C@H](O)C=C[C@@H]([C@@H]1O)O
Isomeric Smiles
O[C@H]1[C@H]([C@H]([C@@H](O)C=C1)O)O
Calculated Properties
JChem
Acid pKa
12.696149
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-1.9941242
LogD (pH = 7.4)
-1.9941263
Log P
-1.994124
Molar Refractivity
34.1686
Polarizability
13.411979
Polar Surface Area
80.92
Rotatable Bonds
0
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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