Molecule

ID:69301

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)
InChIKey
LFKDJXLFVYVEFG-UHFFFAOYSA-N
Canonic Smiles
NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.756227
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.64296246
LogD (pH = 7.4)
0.64296246
Log P
0.64296246
Molar Refractivity
29.8951
Polarizability
11.874916
Polar Surface Area
52.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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