Molecule

ID:4446

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈NO₂+
Molecular Mass
160.23402
Exact Mass
160.13375382
Charge
1
InChI
InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
InChIKey
NZWOPGCLSHLLPA-UHFFFAOYSA-N
Canonic Smiles
CC(C[N+](C)(C)C)OC(=O)C
Isomeric Smiles
CC(C[N+](C)(C)C)OC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.80
LogD (pH = 5.5)
-3.80
Log P
-3.80
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.02
Polar Surface Area
26.30
Polarizability
18.43
Molar Refractivity
55.76
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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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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