Molecule

ID:109842

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
InChIKey
SCCDQYPEOIRVGX-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccc(c(c1)OC)OC(=O)C
Isomeric Smiles
COc1cc(CC=C)ccc1OC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5214062
LogD (pH = 7.4)
2.5214062
Log P
2.5214062
Molar Refractivity
57.9409
Polarizability
22.551723
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
References
Bioactivity
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