Molecule

ID:22781

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-11(2)21-15-8-5-13(6-9-15)17(20)19-16-10-14(18)7-4-12(16)3/h4-11H,18H2,1-3H3,(H,19,20)
InChIKey
FHVUWDBEHXDAQJ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(=O)Nc1cc(N)ccc1C)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)c1ccc(OC(C)C)cc1
Calculated Properties
JChem
Acid pKa
13.168449
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3441153
LogD (pH = 7.4)
3.3650632
Log P
3.3653378
Molar Refractivity
86.9637
Polarizability
32.04152
Polar Surface Area
64.35
Rotatable Bonds
4
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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