Molecule

ID:57045

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-3-13-6-9-17-15(10-13)16(19(21)22)11-18(20-17)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H,21,22)
InChIKey
PGSGUBTUFTUGHE-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C)C(=O)O
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccc(cc1)C)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.5876136
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.371609
LogD (pH = 7.4)
1.940767
Log P
5.2929707
Molar Refractivity
86.6831
Polarizability
35.694298
Polar Surface Area
50.19
Rotatable Bonds
3
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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