Molecule

ID:2267

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₃
Molecular Mass
90.07794
Exact Mass
90.03169405
Charge
0
InChI
InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
InChIKey
MNQZXJOMYWMBOU-VKHMYHEASA-N
Canonic Smiles
O[C@@H](C=O)CO
Isomeric Smiles
OC[C@@H](O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.68
LogD (pH = 5.5)
-1.68
Log P
-1.68
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
12.84
Polar Surface Area
57.53
Polarizability
8.08
Molar Refractivity
19.46
LOG S
0.94
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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