Molecule

ID:71458

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₂
Molecular Mass
269.33826
Exact Mass
269.14157885
Charge
0
InChI
InChI=1S/C17H19NO2/c1-2-3-4-5-13-6-11-16(18-12-13)14-7-9-15(10-8-14)17(19)20/h6-12H,2-5H2,1H3,(H,19,20)
InChIKey
LLDGJJJHJCIBCL-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(nc1)c1ccc(cc1)C(=O)O
Isomeric Smiles
n1c(c2ccc(C(=O)O)cc2)ccc(c1)CCCCC
Calculated Properties
JChem
Acid pKa
3.6429503
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1576605
LogD (pH = 7.4)
1.583821
Log P
3.7120316
Molar Refractivity
79.3667
Polarizability
31.863987
Polar Surface Area
50.19
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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