Molecule

ID:76884

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂
Molecular Mass
105.13564
Exact Mass
105.0789786
Charge
0
InChI
InChI=1S/C4H11NO2/c1-5-2-4(7)3-6/h4-7H,2-3H2,1H3
InChIKey
WOMTYMDHLQTCHY-UHFFFAOYSA-N
Canonic Smiles
CNCC(CO)O
Isomeric Smiles
N(CC(CO)O)C
Calculated Properties
JChem
Acid pKa
14.005249
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.668977
LogD (pH = 7.4)
-3.4927897
Log P
-1.5133154
Molar Refractivity
26.9482
Polarizability
10.888223
Polar Surface Area
52.49
Rotatable Bonds
3
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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