Molecule

ID:35655

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₂
Molecular Mass
258.40174
Exact Mass
258.20959884
Charge
0
InChI
InChI=1S/C17H26N2/c1-2-19-11-5-6-15-12-14(9-10-17(15)19)13-18-16-7-3-4-8-16/h9-10,12,16,18H,2-8,11,13H2,1H3
InChIKey
OCPFRXNJHYZCGT-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCc2c1ccc(c2)CNC1CCCC1
Isomeric Smiles
c12N(CCCc1cc(cc2)CNC1CCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.50356454
LogD (pH = 7.4)
1.1884948
Log P
3.8356054
Molar Refractivity
82.807
Polarizability
31.757599
Polar Surface Area
15.27
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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