Molecule

ID:33418

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClNO₂
Molecular Mass
195.68702
Exact Mass
195.1026065
Charge
0
InChI
InChI=1S/C8H17NO2.ClH/c1-6(2)9(4)5-7(3)8(10)11;/h6-7H,5H2,1-4H3,(H,10,11);1H
InChIKey
BHCOPZIXWDTMOI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CN(C(C)C)C)C.Cl
Isomeric Smiles
C(C(=O)O)(CN(C(C)C)C)C.Cl
Calculated Properties
JChem
Acid pKa
4.077421
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5219052
LogD (pH = 7.4)
-1.5092447
Log P
-1.5091939
Molar Refractivity
44.514
Polarizability
17.506392
Polar Surface Area
40.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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