Molecule

ID:55733

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₂
Molecular Mass
167.63386
Exact Mass
167.07130637
Charge
0
InChI
InChI=1S/C6H13NO2.ClH/c1-3-4-5(7)6(8)9-2;/h5H,3-4,7H2,1-2H3;1H
InChIKey
IODNYRVZHKRFIW-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)OC)N.Cl
Isomeric Smiles
C(=O)(C(N)CCC)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3391312
LogD (pH = 7.4)
0.23428927
Log P
0.5342738
Molar Refractivity
34.3914
Polarizability
14.082125
Polar Surface Area
52.32
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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