Molecule

ID:11059

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(9)13(15-12)14(16)17/h2-3,5-7,9-10,13,15H,4H2,1H3,(H,16,17)
InChIKey
QYUJXIHOGIEIGB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Nc2ccc(cc2C2C1CC=C2)C
Isomeric Smiles
N1C(C2C(c3c1ccc(c3)C)C=CC2)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8692212
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1336074
LogD (pH = 7.4)
-0.46940592
Log P
1.7407498
Molar Refractivity
67.9691
Polarizability
24.929817
Polar Surface Area
49.33
Rotatable Bonds
1
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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