Molecule

ID:44518

General Information
Structure
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
InChIKey
KAWQPOUWLVOHKU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1(oc2c(c1)cccc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4126554
LogD (pH = 7.4)
2.4126554
Log P
2.4126554
Molar Refractivity
51.5505
Polarizability
20.976656
Polar Surface Area
39.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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