Molecule

ID:28811

General Information
Structure
Molecular Formula
C₁₆H₂₈N₂O
Molecular Mass
264.40632
Exact Mass
264.22016353
Charge
0
InChI
InChI=1S/C16H28N2O/c1-4-15-7-9-16(10-8-15)19-14-12-17-11-13-18(5-2)6-3/h7-10,17H,4-6,11-14H2,1-3H3
InChIKey
YGMRKQNRNRRYAC-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNCCOc1ccc(cc1)CC)CC
Isomeric Smiles
N(CCNCCOc1ccc(cc1)CC)(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3644589
LogD (pH = 7.4)
1.0665083
Log P
3.1414216
Molar Refractivity
82.4041
Polarizability
32.434452
Polar Surface Area
24.5
Rotatable Bonds
10
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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