Molecule

ID:126679

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
InChIKey
LRUBQXAKGXQBHA-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)C=CC(C1O)O
Isomeric Smiles
OC1C=CC(O)C(O)C1O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.99
LogD (pH = 5.5)
-1.99
Log P
-1.99
Rotatable Bonds
0
H Donor
4
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
12.70
Polar Surface Area
80.92
Polarizability
13.38
Molar Refractivity
34.17
LOG S
-0.18
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
References
Bioactivity
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