Molecule

ID:80870

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₃
Molecular Mass
296.3603
Exact Mass
296.1412445
Charge
0
InChI
InChI=1S/C19H20O3/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-8-6-7-9-16(15)19(21)22/h6-9H,1-5H3,(H,21,22)
InChIKey
DQCUMOMIHACOJZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(C)c(C)c(c(c1C)C)C)c1ccccc1C(=O)O
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)c1ccccc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.4979756
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.663668
LogD (pH = 7.4)
2.2812996
Log P
5.6572886
Molar Refractivity
89.0957
Polarizability
33.122784
Polar Surface Area
54.37
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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