Molecule

ID:92273

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3
InChIKey
OTHYPAMNTUGKDK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cccc(c1)C(=O)C
Isomeric Smiles
O=C(c1cc(ccc1)OC(=O)C)C
Calculated Properties
JChem
Acid pKa
15.912101
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1381543
LogD (pH = 7.4)
1.1381543
Log P
1.1381543
Molar Refractivity
47.5932
Polarizability
18.497297
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
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References
Bioactivity
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