Molecule

ID:14907

General Information
Structure
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-4-18-10-6-8-14(18)12-17-11-13-7-5-9-15(19-2)16(13)20-3/h5,7,9,14,17H,4,6,8,10-12H2,1-3H3
InChIKey
GYYAJPNTPYGIFY-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CNCc1cccc(c1OC)OC
Isomeric Smiles
c1(c(c(ccc1)OC)OC)CNCC1N(CCC1)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3563423
LogD (pH = 7.4)
0.11999393
Log P
2.057269
Molar Refractivity
82.2113
Polarizability
32.42461
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
No Data Available
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Molecule Details
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References
Bioactivity
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