Molecule

ID:34495

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c1-6(2,5(8)9)7(3)4/h1-4H3,(H,8,9)
InChIKey
NTWMEKOIKAVWGG-UHFFFAOYSA-N
Canonic Smiles
CN(C(C(=O)O)(C)C)C
Isomeric Smiles
C(C(=O)O)(N(C)C)(C)C
Calculated Properties
JChem
Acid pKa
2.016816
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.060631
LogD (pH = 7.4)
-2.0610204
Log P
-2.0605638
Molar Refractivity
35.2799
Polarizability
13.835553
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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