Molecule

ID:53477

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO₂
Molecular Mass
181.66044
Exact Mass
181.08695644
Charge
0
InChI
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKey
JUGOREOARAHOCO-UHFFFAOYSA-M
Canonic Smiles
CC(=O)OCC[N+](C)(C)C.[Cl-]
Isomeric Smiles
[N+](CCOC(=O)C)(C)(C)C.[Cl-]
Calculated Properties
JChem
LogD (pH = 7.4)
-4.22
LogD (pH = 5.5)
-4.22
Log P
-4.22
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.01
Polar Surface Area
26.30
Polarizability
16.83
Molar Refractivity
51.35
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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