Molecule

ID:47197

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-3-13(2)15-8-4-5-9-16(15)18-12-14-7-6-10-17-11-14;/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3;1H
InChIKey
KWZFGKONBCGWHL-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCC1CCCNC1)C.Cl
Isomeric Smiles
c1(c(OCC2CNCCC2)cccc1)C(CC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.42918083
LogD (pH = 7.4)
1.0867682
Log P
3.651068
Molar Refractivity
76.1886
Polarizability
30.17519
Polar Surface Area
21.26
Rotatable Bonds
5
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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