Molecule

ID:22679

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-13-7-9-16(10-8-13)21-12(2)17(20)19-15-6-4-5-14(18)11-15/h4-12H,3,18H2,1-2H3,(H,19,20)
InChIKey
XOTNPGOJHRZEGJ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(C(=O)Nc1cccc(c1)N)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1ccc(cc1)CC)C
Calculated Properties
JChem
Acid pKa
12.71595
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4157012
LogD (pH = 7.4)
3.4255588
Log P
3.425688
Molar Refractivity
85.7196
Polarizability
32.06717
Polar Surface Area
64.35
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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