Molecule

ID:22646

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-15(21-16-10-5-4-7-12(16)2)17(20)19-14-9-6-8-13(18)11-14/h4-11,15H,3,18H2,1-2H3,(H,19,20)
InChIKey
UPKLYOLTFOTWEM-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1cccc(c1)N)Oc1ccccc1C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1c(C)cccc1)CC
Calculated Properties
JChem
Acid pKa
12.609655
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4938228
LogD (pH = 7.4)
3.5035143
Log P
3.5036418
Molar Refractivity
85.6426
Polarizability
32.069515
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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