Molecule

ID:11409

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-9(2)7-10-8-12(14(16)17)11-5-3-4-6-13(11)15-10/h3-6,8-9H,7H2,1-2H3,(H,16,17)
InChIKey
FTAADMSZKWMHEV-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1nc2ccccc2c(c1)C(=O)O)C
Isomeric Smiles
c1(C(=O)O)c2c(nc(c1)CC(C)C)cccc2
Calculated Properties
JChem
Acid pKa
3.6752808
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4269207
LogD (pH = 7.4)
-0.0011066452
Log P
3.1090899
Molar Refractivity
65.6035
Polarizability
26.57497
Polar Surface Area
50.19
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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