Molecule

ID:75214

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-4-5-11(2)15(10)14-8-6-13(7-9-14)12(3)16/h4-9H,1-3H3
InChIKey
QYTWQHUEXYLNLA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)n1c(C)ccc1C
Isomeric Smiles
n1(c2ccc(cc2)C(=O)C)c(ccc1C)C
Calculated Properties
JChem
Acid pKa
16.521397
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8915346
LogD (pH = 7.4)
2.8915346
Log P
2.8915346
Molar Refractivity
76.5126
Polarizability
25.610535
Polar Surface Area
22.0
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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