Molecule

ID:125363

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-6H,1-2H3
InChIKey
WGQVKYPDHREEJU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1OC)C(=O)C
Isomeric Smiles
CC(=O)c1cc(c(cc1)OC)C=O
Calculated Properties
JChem
Acid pKa
16.125057
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0857245
LogD (pH = 7.4)
1.0857244
Log P
1.0857245
Molar Refractivity
49.508
Polarizability
18.484173
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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