Molecule

ID:47308

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-12(2)16-7-6-15(9-13(16)3)18-11-14-5-4-8-17-10-14;/h6-7,9,12,14,17H,4-5,8,10-11H2,1-3H3;1H
InChIKey
BBESXQVGGISAQN-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1C)OCC1CCCNC1)C.Cl
Isomeric Smiles
c1(c(cc(OCC2CNCCC2)cc1)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49803355
LogD (pH = 7.4)
1.1556208
Log P
3.7199209
Molar Refractivity
76.6288
Polarizability
30.093828
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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