Molecule

ID:23080

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-3-10-21-15-7-4-13(5-8-15)17(20)19-16-9-6-14(18)11-12(16)2/h4-9,11H,3,10,18H2,1-2H3,(H,19,20)
InChIKey
RSZPSDHVVGRXHM-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)c1ccc(cc1)OCCC
Calculated Properties
JChem
Acid pKa
12.95184
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4560366
LogD (pH = 7.4)
3.4710886
Log P
3.471285
Molar Refractivity
87.0689
Polarizability
32.041405
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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