Molecule

ID:75518

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-2-13-10-7-11(12)14-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKey
FLZDKBHAUILYAZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(=O)oc2c1cccc2
Isomeric Smiles
o1c(=O)cc(c2c1cccc2)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4994481
LogD (pH = 7.4)
1.4994481
Log P
1.4994481
Molar Refractivity
52.9407
Polarizability
20.067038
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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