Molecule

ID:85002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-7(11)13-9-4-3-5-10(6-9)14-8(2)12/h3-6H,1-2H3
InChIKey
STOUHHBZBQBYHH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cccc(c1)OC(=O)C
Isomeric Smiles
O(c1cc(ccc1)OC(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1877677
LogD (pH = 7.4)
1.1877677
Log P
1.1877677
Molar Refractivity
48.3228
Polarizability
19.220661
Polar Surface Area
52.6
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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