Molecule

ID:27449

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H,16,18)
InChIKey
AMKWLFXMVSRMCQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)C)ccc1)C1CCCCC1
Calculated Properties
JChem
Acid pKa
13.722707
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8821058
LogD (pH = 7.4)
2.8821058
Log P
2.8821058
Molar Refractivity
72.526
Polarizability
27.418827
Polar Surface Area
46.17
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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