Molecule

ID:82063

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂ClNO₃
Molecular Mass
321.88318
Exact Mass
321.20707157
Charge
0
InChI
InChI=1S/C16H32NO3.ClH/c1-12(2)14-7-6-13(3)10-15(14)20-16(19)11-17(4,5)8-9-18;/h12-15,18H,6-11H2,1-5H3;1H/q+1;/p-1
InChIKey
QKDYCKGYDNRAMT-UHFFFAOYSA-M
Canonic Smiles
OCC[N+](CC(=O)OC1CC(C)CCC1C(C)C)(C)C.[Cl-]
Isomeric Smiles
O(C1C(CCC(C1)C)C(C)C)C(=O)C[N+](CCO)(C)C.[Cl-]
Calculated Properties
JChem
Acid pKa
13.967678
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8555416
LogD (pH = 7.4)
-1.8555393
Log P
-1.8555416
Molar Refractivity
92.2317
Polarizability
32.318214
Polar Surface Area
46.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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