Molecule

ID:15688

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₂
Molecular Mass
297.82026
Exact Mass
297.14955669
Charge
0
InChI
InChI=1S/C16H23NO2.ClH/c1-12(2)14-7-5-13(6-8-14)10-17-9-3-4-15(11-17)16(18)19;/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,18,19);1H
InChIKey
SJOVAWIQZZQPSZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1ccc(cc1)C(C)C.Cl
Isomeric Smiles
Cl.c1(ccc(cc1)CN1CC(CCC1)C(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
3.620544
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.65439796
LogD (pH = 7.4)
0.6561015
Log P
0.6578138
Molar Refractivity
77.0194
Polarizability
29.971416
Polar Surface Area
40.54
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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