Molecule

ID:86401

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-7(11)8-2-4-9(5-3-8)14-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
KMXZEXUYXUMHEQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(COc1ccc(cc1)C(=O)C)O
Calculated Properties
JChem
Acid pKa
3.3188093
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3137853
LogD (pH = 7.4)
-2.5708432
Log P
0.85120535
Molar Refractivity
49.0086
Polarizability
18.983448
Polar Surface Area
63.6
Rotatable Bonds
4
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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