Molecule

ID:47225

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)14-7-4-8-15(10-14)18-12-13-6-5-9-17-11-13;/h4,7-8,10,13,17H,5-6,9,11-12H2,1-3H3;1H
InChIKey
ACIOIDIKIISSNA-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1)OCC1CCCNC1)(C)C.Cl
Isomeric Smiles
c1(C(C)(C)C)cc(OCC2CNCCC2)ccc1.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
30.173588
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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