Molecule

ID:11201

General Information
Structure
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c20-10-9-18-11-13(21)12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-8,13,18,20-21H,9-12H2
InChIKey
QZUDLONPOLSENE-UHFFFAOYSA-N
Canonic Smiles
OCCNCC(Cn1c2ccccc2c2c1cccc2)O
Isomeric Smiles
c12c3c(n(c1cccc2)CC(O)CNCCO)cccc3
Calculated Properties
JChem
Acid pKa
14.404361
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.4994038
LogD (pH = 7.4)
-0.22721954
Log P
1.6297214
Molar Refractivity
83.3481
Polarizability
35.012516
Polar Surface Area
57.42
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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