Molecule

ID:9

General Information
Structure
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Molecular Formula
C₅H₁₄NO+
Molecular Mass
104.17076
Exact Mass
104.10753907
Charge
1
InChI
InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-N
Canonic Smiles
OCC[N+](C)(C)C
Isomeric Smiles
OCC[N+](C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-4.66
LogD (pH = 5.5)
-4.66
Log P
-4.66
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
13.97
Polar Surface Area
20.23
Polarizability
12.57
Molar Refractivity
42.19
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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