Molecule

ID:25708

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂O₃
Molecular Mass
298.37618
Exact Mass
298.15689456
Charge
0
InChI
InChI=1S/C19H22O3/c1-4-17(18(20)21)22-16-12-10-15(11-13-16)19(2,3)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3,(H,20,21)
InChIKey
LCLOPEMJHSXARP-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)Oc1ccc(cc1)C(c1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(OC(C(=O)O)CC)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
Acid pKa
3.9164784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4738884
LogD (pH = 7.4)
1.8587048
Log P
5.063705
Molar Refractivity
96.879
Polarizability
33.921062
Polar Surface Area
46.53
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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