Molecule

ID:79498

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-5(11)7-3-8(6(2)12)10(14)4-9(7)13/h3-4,13-14H,1-2H3
InChIKey
GEYCQLIOGQPPFM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(C(=O)C)c(cc1O)O
Isomeric Smiles
O=C(c1c(cc(c(c1)C(=O)C)O)O)C
Calculated Properties
JChem
Acid pKa
8.209871
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7805712
LogD (pH = 7.4)
1.7189245
Log P
1.7814102
Molar Refractivity
50.8254
Polarizability
19.056822
Polar Surface Area
74.6
Rotatable Bonds
2
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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