Molecule

ID:126395

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅ClN₂O₂
Molecular Mass
182.6485
Exact Mass
182.08220541
Charge
0
InChI
InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
InChIKey
AIXAANGOTKPUOY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)OCC[N+](C)(C)C.[Cl-]
Isomeric Smiles
[Cl-].O=C(OCC[N+](C)(C)C)N
Calculated Properties
JChem
LogD (pH = 7.4)
-4.55
LogD (pH = 5.5)
-4.55
Log P
-4.55
Rotatable Bonds
4
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.23
Polar Surface Area
52.32
Polarizability
16.14
Molar Refractivity
50.02
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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