Molecule

ID:119244

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO₅
Molecular Mass
215.63206
Exact Mass
215.05605023
Charge
0
InChI
InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1
InChIKey
QKPLRMLTKYXDST-NSEZLWDYSA-N
Canonic Smiles
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)N.Cl
Isomeric Smiles
[C@H]1([C@H]([C@@H]([C@H](OC1O)CO)O)O)N.Cl
Calculated Properties
JChem
Acid pKa
11.726975
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-5.5965767
LogD (pH = 7.4)
-3.9292529
Log P
-3.039421
Molar Refractivity
37.5809
Polarizability
15.959335
Polar Surface Area
116.17
Rotatable Bonds
1
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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