Molecule

ID:25916

General Information
Structure
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h3-5,7-8H,1,6H2,2H3
InChIKey
DGWCHURQYFMBFC-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccc(cc1OC)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OCC=C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1016555
LogD (pH = 7.4)
2.1016555
Log P
2.1016555
Molar Refractivity
54.7311
Polarizability
20.698854
Polar Surface Area
35.53
Rotatable Bonds
5
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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