Molecule

ID:23070

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-4-17(22-15-8-5-12(2)6-9-15)18(21)20-16-10-7-14(19)11-13(16)3/h5-11,17H,4,19H2,1-3H3,(H,20,21)
InChIKey
VAPWXNINIDLYNX-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1ccc(cc1C)N)Oc1ccc(cc1)C
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)C(Oc1ccc(cc1)C)CC
Calculated Properties
JChem
Acid pKa
13.038293
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.000249
LogD (pH = 7.4)
4.016846
Log P
4.017063
Molar Refractivity
90.6838
Polarizability
33.832874
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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