Molecule

ID:28804

General Information
Structure
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c1-2-3-11-20-17-8-6-15(7-9-17)12-19-14-16-5-4-10-18-13-16/h4-10,13,19H,2-3,11-12,14H2,1H3
InChIKey
DZTYWTCDZGMALS-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
n1cc(CNCc2ccc(cc2)OCCCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.34027222
LogD (pH = 7.4)
1.984638
Log P
3.204623
Molar Refractivity
82.0985
Polarizability
32.303116
Polar Surface Area
34.15
Rotatable Bonds
8
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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