Molecule

ID:23308

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-18(2,3)13-4-10-16(11-5-13)22-12-17(21)20-15-8-6-14(19)7-9-15/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKey
NPDIQSCLGFUYTJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)N)COc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
Acid pKa
12.792633
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.435107
LogD (pH = 7.4)
3.4438753
Log P
3.44399
Molar Refractivity
90.2494
Polarizability
33.908207
Polar Surface Area
64.35
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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