Molecule

ID:64636

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂
Molecular Mass
267.32238
Exact Mass
267.12592879
Charge
0
InChI
InChI=1S/C17H17NO2/c19-17(20)15-8-4-7-14-9-10-18(12-16(14)15)11-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,20)
InChIKey
GUQLZRGVJWNFOR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1CN(CC2)Cc1ccccc1
Isomeric Smiles
c12c(C(=O)O)cccc2CCN(C1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.6941469
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.61518246
LogD (pH = 7.4)
0.5306619
Log P
0.61615455
Molar Refractivity
79.7791
Polarizability
30.33068
Polar Surface Area
40.54
Rotatable Bonds
3
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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