Molecule

ID:29127

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-18(2,3)15-11-9-14(10-12-15)13-19-16-7-5-6-8-17(16)20-4/h5-12,19H,13H2,1-4H3
InChIKey
NNYVFXCWAMEAGC-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NCc1ccc(cc1)C(C)(C)C
Isomeric Smiles
N(c1c(OC)cccc1)Cc1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
19.049835
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.533118
LogD (pH = 7.4)
4.5575614
Log P
4.557882
Molar Refractivity
85.9935
Polarizability
32.758087
Polar Surface Area
21.26
Rotatable Bonds
5
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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