Molecule

ID:124096

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₂
Molecular Mass
283.79368
Exact Mass
283.13390663
Charge
0
InChI
InChI=1S/C15H21NO2.ClH/c17-15(18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h6-9,12,16H,1-5,10-11H2,(H,17,18);1H
InChIKey
SIBBVEIOVOGTMK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)CNCC1CCCCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)CNCC1CCCCC1)O.Cl
Calculated Properties
JChem
Acid pKa
3.7993636
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.82497656
LogD (pH = 7.4)
0.8312155
Log P
0.83155006
Molar Refractivity
72.3072
Polarizability
28.177227
Polar Surface Area
49.33
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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