Molecule

ID:53013

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7-5-3-4-6-8(7)9(11)10(12)13-2/h3-6H,1-2H3
InChIKey
QMJRGFDWGOXABE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)c1ccccc1C
Isomeric Smiles
c1ccc(c(c1)C(=O)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3831363
LogD (pH = 7.4)
2.3831363
Log P
2.3831363
Molar Refractivity
48.066
Polarizability
18.438015
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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