Molecule

ID:11058

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c21-11-5-10-19-12-14(22)13-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-4,6-9,14,19,21-22H,5,10-13H2
InChIKey
XJSHYABCAWRNDE-UHFFFAOYSA-N
Canonic Smiles
OCCCNCC(Cn1c2ccccc2c2c1cccc2)O
Isomeric Smiles
n1(c2c(c3c1cccc3)cccc2)CC(O)CNCCCO
Calculated Properties
JChem
Acid pKa
14.419711
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.4855688
LogD (pH = 7.4)
-0.40301335
Log P
1.6896812
Molar Refractivity
88.2135
Polarizability
36.859554
Polar Surface Area
57.42
Rotatable Bonds
7
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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