Molecule

ID:127886

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₇
Molecular Mass
192.12352
Exact Mass
192.0270026
Charge
0
InChI
InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKey
ODBLHEXUDAPZAU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(C(C(=O)O)O)C(=O)O
Isomeric Smiles
O=C(O)C(CC(=O)O)C(O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-9.58
LogD (pH = 5.5)
-5.05
Log P
-1.45
Rotatable Bonds
5
H Donor
4
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
3.07
Polar Surface Area
132.13
Polarizability
15.53
Molar Refractivity
35.72
LOG S
0.70
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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