Molecule

ID:105551

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄
Molecular Mass
120.10392
Exact Mass
120.04225874
Charge
0
InChI
InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m1/s1
InChIKey
YTBSYETUWUMLBZ-QWWZWVQMSA-N
Canonic Smiles
OC[C@H]([C@@H](C=O)O)O
Isomeric Smiles
O=C[C@@H](O)[C@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.31
LogD (pH = 5.5)
-2.31
Log P
-2.31
Rotatable Bonds
3
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
12.45
Polar Surface Area
77.76
Polarizability
10.70
Molar Refractivity
25.42
LOG S
0.94
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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