Molecule

ID:136187

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₃
Molecular Mass
197.65984
Exact Mass
197.08187106
Charge
0
InChI
InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1
InChIKey
JXXCENBLGFBQJM-FYZOBXCZSA-N
Canonic Smiles
O[C@@H](C[N+](C)(C)C)CC(=O)O.[Cl-]
Isomeric Smiles
C[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-]
Calculated Properties
JChem
Acid pKa
4.1961756
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.134386
LogD (pH = 7.4)
-4.1171994
Log P
-4.887506
Molar Refractivity
52.6482
Polarizability
16.279417
Polar Surface Area
57.53
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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