Molecule

ID:18225

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₃
Molecular Mass
236.3068
Exact Mass
236.1412445
Charge
0
InChI
InChI=1S/C14H20O3/c1-13(2,3)10-6-8-11(9-7-10)17-14(4,5)12(15)16/h6-9H,1-5H3,(H,15,16)
InChIKey
MINZYOMFMKWNIN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1)C(C)(C)C)(C)C
Isomeric Smiles
C(C(=O)O)(Oc1ccc(C(C)(C)C)cc1)(C)C
Calculated Properties
JChem
Acid pKa
4.131902
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4568114
LogD (pH = 7.4)
0.76153004
Log P
3.8401442
Molar Refractivity
66.4789
Polarizability
26.165226
Polar Surface Area
46.53
Rotatable Bonds
4
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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