Molecule

ID:15399

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)5-8-4-3-7;/h6H,3-5,7H2,1-2H3;1H
InChIKey
SQQGGCMNEHVGQN-UHFFFAOYSA-N
Canonic Smiles
NCCOCC(C)C.Cl
Isomeric Smiles
NCCOCC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.411241
LogD (pH = 7.4)
-1.4355953
Log P
0.5718688
Molar Refractivity
34.7065
Polarizability
14.000582
Polar Surface Area
35.25
Rotatable Bonds
4
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
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References
Bioactivity
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