Molecule

ID:29030

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H26ClNO/c1-3-4-5-6-7-10-18-11-12-19-16-9-8-15(17)13-14(16)2/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKey
KERNKSYKWBPGAR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCCOc1ccc(cc1C)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCNCCCCCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0247893
LogD (pH = 7.4)
2.9259088
Log P
5.226242
Molar Refractivity
82.7682
Polarizability
32.730778
Polar Surface Area
21.26
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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