Molecule

ID:10467

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-13-10-4-2-3-8(5-10)9(6-11)7-12/h2-7,9H,1H3
InChIKey
FBFUYYOEROKGIZ-UHFFFAOYSA-N
Canonic Smiles
O=CC(c1cccc(c1)OC)C=O
Isomeric Smiles
c1(cccc(c1)C(C=O)C=O)OC
Calculated Properties
JChem
Acid pKa
6.77366
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.84825134
LogD (pH = 7.4)
0.15342773
Log P
0.8707692
Molar Refractivity
48.2697
Polarizability
18.519657
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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