Molecule

ID:69976

General Information
Structure
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3
InChIKey
QNTSFZXGLAHYLC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(c1ccc(cc1)C(=O)C)OC
Calculated Properties
JChem
Acid pKa
15.74645
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5343703
LogD (pH = 7.4)
1.5343703
Log P
1.5343703
Molar Refractivity
48.4861
Polarizability
18.490513
Polar Surface Area
43.37
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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