Molecule

ID:18880

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O
Molecular Mass
262.39044
Exact Mass
262.20451346
Charge
0
InChI
InChI=1S/C16H26N2O/c1-18(2)12-11-17-13-14-7-9-16(10-8-14)19-15-5-3-4-6-15/h7-10,15,17H,3-6,11-13H2,1-2H3
InChIKey
DEDZAVJWWNCUOV-UHFFFAOYSA-N
Canonic Smiles
CN(CCNCc1ccc(cc1)OC1CCCC1)C
Isomeric Smiles
O(c1ccc(cc1)CNCCN(C)C)C1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4815533
LogD (pH = 7.4)
0.74762106
Log P
2.7472699
Molar Refractivity
80.2015
Polarizability
31.771534
Polar Surface Area
24.5
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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