Molecule

ID:24653

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
InChIKey
VIWZVFVJPXTXPA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCOCC1
Isomeric Smiles
N1(CC(=O)O)CCOCC1
Calculated Properties
JChem
Acid pKa
2.9507053
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.7001138
LogD (pH = 7.4)
-3.5250018
Log P
-2.6728914
Molar Refractivity
35.1472
Polarizability
13.865244
Polar Surface Area
49.77
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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