Molecule

ID:123381

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₃
Molecular Mass
178.1846
Exact Mass
178.06299418
Charge
0
InChI
InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3
InChIKey
SMIOEQSLJNNKQF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(Oc1ccc(C(=O)C)cc1)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.14
LogD (pH = 5.5)
1.14
Log P
1.14
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
16.15
Polar Surface Area
43.37
Polarizability
18.47
Molar Refractivity
47.59
LOG S
-2.11
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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