Molecule

ID:23461

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-12(2)21-16-9-7-13(8-10-16)17(20)19-15-6-4-5-14(18)11-15/h4-12H,3,18H2,1-2H3,(H,19,20)
InChIKey
ZBSVWPPLARVPEW-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C(=O)Nc1cccc(c1)N)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)c1ccc(OC(CC)C)cc1
Calculated Properties
JChem
Acid pKa
13.103285
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3665452
LogD (pH = 7.4)
3.3743377
Log P
3.3744388
Molar Refractivity
86.4465
Polarizability
32.119884
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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