Molecule

ID:53274

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₃
Molecular Mass
132.15768
Exact Mass
132.07864424
Charge
0
InChI
InChI=1S/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2/t5-,6+
InChIKey
YCZZQSFWHFBKMU-OLQVQODUSA-N
Canonic Smiles
OC[C@@H]1CC[C@@H](O1)CO
Isomeric Smiles
[C@H]1(CC[C@@H](O1)CO)CO
Calculated Properties
JChem
Acid pKa
14.375458
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.73032296
LogD (pH = 7.4)
-0.730323
Log P
-0.73032296
Molar Refractivity
32.4785
Polarizability
13.042427
Polar Surface Area
49.69
Rotatable Bonds
2
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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