Molecule

ID:18700

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₂
Molecular Mass
286.36878
Exact Mass
286.16812795
Charge
0
InChI
InChI=1S/C17H22N2O2/c1-13-16(12-20)15-6-2-3-7-17(15)19(13)11-14(21)10-18-8-4-5-9-18/h2-3,6-7,12,14,21H,4-5,8-11H2,1H3
InChIKey
KNEOPJDARDFYJH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(CN1CCCC1)O
Isomeric Smiles
n1(c(c(c2c1cccc2)C=O)C)CC(CN1CCCC1)O
Calculated Properties
JChem
Acid pKa
14.421633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0872695
LogD (pH = 7.4)
0.58706313
Log P
2.0018547
Molar Refractivity
85.2975
Polarizability
33.438847
Polar Surface Area
45.47
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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