Molecule

ID:47709

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-11-3-4-14(13(15)9-11)16(2)10-12-5-7-17-8-6-12/h3-4,9,12H,5-8,10,15H2,1-2H3
InChIKey
SAQMUNJREIVRKU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N)N(CC1CCOCC1)C
Isomeric Smiles
c1(N(CC2CCOCC2)C)c(cc(cc1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7176145
LogD (pH = 7.4)
2.1770139
Log P
2.187572
Molar Refractivity
73.5217
Polarizability
27.23059
Polar Surface Area
38.49
Rotatable Bonds
3
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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