Molecule

ID:57064

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-3-13-5-4-6-15-16(19(21)22)11-17(20-18(13)15)14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3,(H,21,22)
InChIKey
VSQOOFINSUIDFT-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc2c1nc(cc2C(=O)O)c1ccc(cc1)C
Isomeric Smiles
c1cc(c2c(c1)c(cc(n2)c1ccc(cc1)C)C(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.586853
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.375151
LogD (pH = 7.4)
1.9419843
Log P
5.2929707
Molar Refractivity
86.6831
Polarizability
35.695744
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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