Molecule

ID:22663

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-2-3-11-21-16-9-7-13(8-10-16)17(20)19-15-6-4-5-14(18)12-15/h4-10,12H,2-3,11,18H2,1H3,(H,19,20)
InChIKey
QQGNGWYCCWXSDK-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)C(=O)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)c1ccc(cc1)OCCCC
Calculated Properties
JChem
Acid pKa
13.106396
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3945296
LogD (pH = 7.4)
3.402331
Log P
3.4024324
Molar Refractivity
86.6287
Polarizability
32.12004
Polar Surface Area
64.35
Rotatable Bonds
6
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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