Molecule

ID:34472

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-7-5-9-6-8(11(12)13-2)3-4-10(9)14-7/h3-6H,1-2H3
InChIKey
JRCRSXNCAUQMOU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)cc(o2)C
Isomeric Smiles
c12ccc(cc1cc(o2)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3354075
LogD (pH = 7.4)
2.3354075
Log P
2.3354075
Molar Refractivity
52.0741
Polarizability
20.886658
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
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References
Bioactivity
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