Molecule

ID:132490

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₅
Molecular Mass
229.65864
Exact Mass
229.0717003
Charge
0
InChI
InChI=1S/C7H15NO5.ClH/c1-12-7-6(11)4(8)5(10)3(2-9)13-7;/h3-7,9-11H,2,8H2,1H3;1H
InChIKey
UMFRURBOSLCTIW-UHFFFAOYSA-N
Canonic Smiles
COC1OC(CO)C(C(C1O)N)O.Cl
Isomeric Smiles
COC1C(C(C(C(O1)CO)O)N)O.Cl
Calculated Properties
JChem
Acid pKa
12.674862
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.246307
LogD (pH = 7.4)
-3.815339
Log P
-2.3962946
Molar Refractivity
42.3321
Polarizability
17.833466
Polar Surface Area
105.17
Rotatable Bonds
2
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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