Molecule

ID:14905

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-4-18-9-5-6-14(18)12-17-11-13-7-8-15(19-2)16(10-13)20-3/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKey
ZSXMCNKCFRLGIB-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1ccc(c(c1)OC)OC
Isomeric Smiles
C1(N(CCC1)CC)CNCc1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6294262
LogD (pH = 7.4)
-0.20021832
Log P
2.057269
Molar Refractivity
82.2113
Polarizability
32.42437
Polar Surface Area
33.73
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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