Molecule

ID:17531

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆ClNO₃
Molecular Mass
209.67054
Exact Mass
209.08187106
Charge
0
InChI
InChI=1S/C8H15NO3.ClH/c1-6-3-9(5-8(10)11)4-7(2)12-6;/h6-7H,3-5H2,1-2H3,(H,10,11);1H
InChIKey
TZNGCPRKOHDPAN-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)CC(=O)O.Cl
Isomeric Smiles
N1(CC(=O)O)CC(OC(C1)C)C.Cl
Calculated Properties
JChem
Acid pKa
3.2393465
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.021854
LogD (pH = 7.4)
-2.548579
Log P
-2.0158856
Molar Refractivity
43.9848
Polarizability
17.513292
Polar Surface Area
49.77
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
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Molecule Details
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References
Bioactivity
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