Molecule

ID:8471

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₃
Molecular Mass
128.12592
Exact Mass
128.04734412
Charge
0
InChI
InChI=1S/C6H8O3/c1-6(2)3-4(7)9-5(6)8/h3H2,1-2H3
InChIKey
ACJPFLIEHGFXGP-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C(C1)(C)C
Isomeric Smiles
C1(=O)C(CC(=O)O1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8346896
LogD (pH = 7.4)
0.8346896
Log P
0.8346896
Molar Refractivity
29.4071
Polarizability
11.971691
Polar Surface Area
43.37
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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