Molecule

ID:105142

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₄
Molecular Mass
199.63266
Exact Mass
199.06113561
Charge
0
InChI
InChI=1S/C6H13NO4.ClH/c8-2-4(10)5-6(11)3(9)1-7-5;/h3-11H,1-2H2;1H
InChIKey
IFRNNJQXHHLGKS-UHFFFAOYSA-N
Canonic Smiles
OCC(C1NCC(C1O)O)O.Cl
Isomeric Smiles
Cl.OCC(O)C1NCC(O)C1O
Calculated Properties
JChem
Acid pKa
13.163428
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-5.9524345
LogD (pH = 7.4)
-4.529607
Log P
-2.8857431
Molar Refractivity
36.5744
Polarizability
15.1906805
Polar Surface Area
92.95
Rotatable Bonds
2
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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