Molecule

ID:46662

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-4-16(2,3)14-5-7-15(8-6-14)18-12-13-9-10-17-11-13;/h5-8,13,17H,4,9-12H2,1-3H3;1H
InChIKey
DKYUYFOMIRHKNI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC1CNCC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(OCC2CNCC2)cc1)(CC)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26697338
LogD (pH = 7.4)
0.4255833
Log P
3.5065465
Molar Refractivity
76.0627
Polarizability
30.172754
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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