Molecule

ID:55115

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClNO
Molecular Mass
153.65034
Exact Mass
153.09204182
Charge
0
InChI
InChI=1S/C6H15NO.ClH/c1-6(2,4-7)5-8-3;/h4-5,7H2,1-3H3;1H
InChIKey
IXJYFALFWJVGKE-UHFFFAOYSA-N
Canonic Smiles
NCC(COC)(C)C.Cl
Isomeric Smiles
O(CC(CN)(C)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6536236
LogD (pH = 7.4)
-1.9938979
Log P
0.3592005
Molar Refractivity
34.587
Polarizability
14.000582
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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