Molecule

ID:75528

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
InChIKey
LIFAQMGORKPVDH-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc2oc(=O)ccc2cc1
Isomeric Smiles
o1c(=O)ccc2c1cc(cc2)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9824963
LogD (pH = 7.4)
1.9824963
Log P
1.9824963
Molar Refractivity
52.7604
Polarizability
20.058218
Polar Surface Area
35.53
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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