Molecule

ID:61189

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₂
Molecular Mass
261.35932
Exact Mass
261.17287898
Charge
0
InChI
InChI=1S/C16H23NO2/c1-13(2)10-12-19-15-7-5-14(6-8-15)16(18)9-11-17(3)4/h5-9,11,13H,10,12H2,1-4H3/b11-9+
InChIKey
GFDZNTYIOUTANF-PKNBQFBNSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)C(=O)/C=C/N(C)C)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)c1ccc(cc1)OCCC(C)C
Calculated Properties
JChem
Acid pKa
17.581947
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5796657
LogD (pH = 7.4)
3.303944
Log P
3.328468
Molar Refractivity
79.6984
Polarizability
30.371628
Polar Surface Area
29.54
Rotatable Bonds
7
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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