Molecule

ID:72259

General Information
Structure
Molecular Formula
C₆H₁₄ClNO₂
Molecular Mass
167.63386
Exact Mass
167.07130637
Charge
0
InChI
InChI=1S/C6H13NO2.ClH/c1-4-5(7-2)6(8)9-3;/h5,7H,4H2,1-3H3;1H
InChIKey
ASOJIUMAOMSETO-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)OC)NC.Cl
Isomeric Smiles
C(=O)(C(NC)CC)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.702507
LogD (pH = 7.4)
0.44294193
Log P
0.5222855
Molar Refractivity
34.565
Polarizability
14.082125
Polar Surface Area
38.33
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
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Molecule Details
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References
Bioactivity
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