Molecule

ID:13373

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-18-10-7-14(8-11-18)17-9-6-13-4-5-15(19-2)16(12-13)20-3/h4-5,12,14,17H,6-11H2,1-3H3
InChIKey
CWENNUNXHJSJRK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNC2CCN(CC2)C)ccc1OC
Isomeric Smiles
c1c(c(cc(c1)CCNC1CCN(CC1)C)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.639046
LogD (pH = 7.4)
-1.5919602
Log P
1.5317194
Molar Refractivity
82.4385
Polarizability
32.348644
Polar Surface Area
33.73
Rotatable Bonds
6
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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