Molecule

ID:79604

General Information
Structure
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3
InChIKey
XLSMGNNWSRNTIQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(ccc1O)C(=O)C
Isomeric Smiles
O(C(=O)c1c(ccc(c1)C(=O)C)O)C
Calculated Properties
JChem
Acid pKa
8.035632
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8795527
LogD (pH = 7.4)
1.7912854
Log P
1.880805
Molar Refractivity
50.467
Polarizability
19.13171
Polar Surface Area
63.6
Rotatable Bonds
3
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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