Molecule

ID:114085

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-8-5-10(3)11(6-9(8)2)12-7-13(14(17)18)16(4)15-12/h5-7H,1-4H3,(H,17,18)
InChIKey
GQPHHSOBANUSHQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c(cc1c1cc(n(n1)C)C(=O)O)C
Isomeric Smiles
c1(n(nc(c1)c1cc(c(cc1C)C)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.277834
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3423634
LogD (pH = 7.4)
0.12009676
Log P
3.5520298
Molar Refractivity
81.9829
Polarizability
27.471058
Polar Surface Area
55.12
Rotatable Bonds
2
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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