Molecule

ID:20704

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-16(2,3)14-6-8-15(9-7-14)18-12-13-5-4-10-17-11-13;/h6-9,13,17H,4-5,10-12H2,1-3H3;1H
InChIKey
LTUZEGNNLIALFY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCC1CCCNC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CNCCC2)cc1)(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28465927
LogD (pH = 7.4)
0.9422465
Log P
3.5065465
Molar Refractivity
76.0627
Polarizability
30.172924
Polar Surface Area
21.26
Rotatable Bonds
4
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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