Molecule

ID:102804

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClNO₃
Molecular Mass
185.64914
Exact Mass
185.08187106
Charge
0
InChI
InChI=1S/C6H15NO3.ClH/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;1H
InChIKey
HHLJUSLZGFYWKW-UHFFFAOYSA-N
Canonic Smiles
OCCN(CCO)CCO.Cl
Isomeric Smiles
Cl.OCCN(CCO)CCO
Calculated Properties
JChem
LogD (pH = 7.4)
-2.96
LogD (pH = 5.5)
-4.71
Log P
-1.88
Rotatable Bonds
6
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.44
Polar Surface Area
63.93
Polarizability
16.38
Molar Refractivity
38.87
LOG S
1.21
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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