Molecule

ID:22656

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-16(21-15-9-7-12(2)8-10-15)17(20)19-14-6-4-5-13(18)11-14/h4-11,16H,3,18H2,1-2H3,(H,19,20)
InChIKey
UECUQPNHPSCZBH-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1cccc(c1)N)Oc1ccc(cc1)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1ccc(cc1)C)CC
Calculated Properties
JChem
Acid pKa
12.609809
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4931116
LogD (pH = 7.4)
3.503505
Log P
3.5036418
Molar Refractivity
85.6426
Polarizability
32.067993
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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