Molecule

ID:113332

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7-3-8(5-11)10(13-2)9(4-7)6-12/h3-6H,1-2H3
InChIKey
MHSIFDSGOLPDRK-UHFFFAOYSA-N
Canonic Smiles
COc1c(C=O)cc(cc1C=O)C
Isomeric Smiles
c1(c(c(cc(c1)C)C=O)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7540007
LogD (pH = 7.4)
1.7540007
Log P
1.7540007
Molar Refractivity
50.7304
Polarizability
18.411854
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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