Molecule

ID:13244

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O
Molecular Mass
258.35868
Exact Mass
258.17321333
Charge
0
InChI
InChI=1S/C16H22N2O/c1-3-18(4-2)15-9-7-14(8-10-15)12-17-13-16-6-5-11-19-16/h5-11,17H,3-4,12-13H2,1-2H3
InChIKey
NJMZNCFNEDVHMM-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)CNCc1ccco1)CC
Isomeric Smiles
c1cc(oc1)CNCc1ccc(cc1)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5068351
LogD (pH = 7.4)
2.471095
Log P
3.1379743
Molar Refractivity
80.2353
Polarizability
30.514492
Polar Surface Area
28.41
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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