Molecule

ID:11098

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂
Molecular Mass
264.3648
Exact Mass
264.16264865
Charge
0
InChI
InChI=1S/C18H20N2/c1-14-6-2-3-7-15(14)12-19-11-10-16-13-20-18-9-5-4-8-17(16)18/h2-9,13,19-20H,10-12H2,1H3
InChIKey
WCTSRWDGSJARLG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CNCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNCc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
17.167559
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.9337116
LogD (pH = 7.4)
1.5691658
Log P
4.1569123
Molar Refractivity
84.8013
Polarizability
34.028133
Polar Surface Area
27.82
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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