Molecule

ID:84019

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-3-10-6(9)4-7-5(2)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
AMBDTBHJFINMSE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)C
Isomeric Smiles
N(C(=O)C)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
12.711591
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.825927
LogD (pH = 7.4)
-0.8259288
Log P
-0.82592696
Molar Refractivity
34.9649
Polarizability
13.839958
Polar Surface Area
55.4
Rotatable Bonds
4
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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