Molecule

ID:7687

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-7(12)10-6-8-4-3-5-9(13-2)11(8)14-10/h3-6H,1-2H3
InChIKey
MUUMFANQVPWPFY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(c2)C(=O)C
Isomeric Smiles
o1c(cc2c1c(OC)ccc2)C(=O)C
Calculated Properties
JChem
Acid pKa
14.412932
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4523466
LogD (pH = 7.4)
1.4523466
Log P
1.4523466
Molar Refractivity
51.6426
Polarizability
20.970245
Polar Surface Area
39.44
Rotatable Bonds
2
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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