Molecule

ID:13474

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₂
Molecular Mass
260.41762
Exact Mass
260.22524891
Charge
0
InChI
InChI=1S/C17H28N2/c1-13-8-6-7-9-14(13)12-18-15-10-16(2,3)19-17(4,5)11-15/h6-9,15,18-19H,10-12H2,1-5H3
InChIKey
LXEUJBRCXJNTFF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CNC1CC(C)(C)NC(C1)(C)C
Isomeric Smiles
c1ccc(c(c1)CNC1CC(NC(C1)(C)C)(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.7529163
LogD (pH = 7.4)
-0.7732833
Log P
3.0830777
Molar Refractivity
82.6176
Polarizability
32.907177
Polar Surface Area
24.06
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
Molecule Details
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References
Bioactivity
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