Molecule

ID:102061

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₆
Molecular Mass
245.65804
Exact Mass
245.06661492
Charge
0
InChI
InChI=1S/C7H16NO2.ClHO4/c1-7(9)10-6-5-8(2,3)4;2-1(3,4)5/h5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
SHIQLFRCVFUYEK-UHFFFAOYSA-M
Canonic Smiles
[O-][Cl](=O)(=O)=O.CC(=O)OCC[N+](C)(C)C
Isomeric Smiles
CC(=O)OCC[N+](C)(C)C.[O-][Cl](=O)(=O)=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-4.2211437
LogD (pH = 7.4)
-4.2211437
Log P
-4.2211437
Molar Refractivity
51.3455
Polarizability
15.861634
Polar Surface Area
26.3
Rotatable Bonds
4
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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