Molecule

ID:16563

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3/h4,6-8H,1,5H2,2-3H3
InChIKey
FBLUJEZNJVZMKK-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cc(C=O)cc(c1OC)OC
Isomeric Smiles
c1(c(cc(cc1OC)C=O)CC=C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4689763
LogD (pH = 7.4)
2.4689763
Log P
2.4689763
Molar Refractivity
59.8557
Polarizability
22.536507
Polar Surface Area
35.53
Rotatable Bonds
5
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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