Molecule

ID:75537

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
InChIKey
UDFPKNSWSYBIHO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
o1c(=O)cc(c2c1cc(cc2)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9250829
LogD (pH = 7.4)
1.9250829
Log P
1.9250829
Molar Refractivity
52.2938
Polarizability
20.057552
Polar Surface Area
35.53
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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