Molecule
ID:28169
General Information
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-6(8)4-5-7(2)3/h4-5H2,1-3H3
InChIKey
WQVAMFRPCWXWSS-UHFFFAOYSA-N
Canonic Smiles
CN(CCC(=O)C)C
Isomeric Smiles
C(C(=O)C)CN(C)C
Calculated Properties
JChem
Acid pKa
18.38395
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.672406
LogD (pH = 7.4)
-0.9283641
Log P
0.23479104
Molar Refractivity
34.3232
Polarizability
13.379135
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
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Molecule Details
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References
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Bioactivity
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