Molecule

ID:70139

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-14-11-5-4-10(7-13)6-12(11)15-8-9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKey
GRDGKQILTBTXSJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OCC1CC1)C=O
Isomeric Smiles
C(=O)c1cc(c(cc1)OC)OCC1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1509829
LogD (pH = 7.4)
2.1509829
Log P
2.1509829
Molar Refractivity
57.5104
Polarizability
22.05675
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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