Molecule

ID:78469

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO₃
Molecular Mass
251.75028
Exact Mass
251.12882125
Charge
0
InChI
InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H
InChIKey
LZYXPFZBAZTOCH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)CCC(=O)CN.Cl
Isomeric Smiles
NCC(=O)CCC(=O)OCCCCCC.Cl
Calculated Properties
JChem
Acid pKa
16.106749
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8910192
LogD (pH = 7.4)
0.79681027
Log P
1.3659431
Molar Refractivity
58.2925
Polarizability
23.36339
Polar Surface Area
69.39
Rotatable Bonds
10
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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