Molecule

ID:22604

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-12(2)13-6-8-16(9-7-13)21-11-17(20)19-15-5-3-4-14(18)10-15/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKey
LNFDICQEHSMNSS-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)N)COc1ccc(cc1)C(C)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)COc1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
12.554889
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1345015
LogD (pH = 7.4)
3.1438198
Log P
3.143943
Molar Refractivity
85.7743
Polarizability
32.06653
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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