Molecule

ID:20348

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-12-11-13(15)5-6-14(12)17-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10,15H2,1H3
InChIKey
WRUXKZRCDWXVOG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCCN1CCCCC1
Isomeric Smiles
N1(CCOc2c(cc(N)cc2)C)CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8978892
LogD (pH = 7.4)
0.8593003
Log P
2.3690805
Molar Refractivity
72.4239
Polarizability
27.608927
Polar Surface Area
38.49
Rotatable Bonds
4
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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