Molecule

ID:54292

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)
InChIKey
FJRTVLWHONLTLA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CNC(=O)C1
Isomeric Smiles
C1C(CNC1=O)C(=O)OC
Calculated Properties
JChem
Acid pKa
14.114489
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0550632
LogD (pH = 7.4)
-1.0550634
Log P
-1.0550632
Molar Refractivity
33.1129
Polarizability
13.1389475
Polar Surface Area
55.4
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
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Molecule Details
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References
Bioactivity
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