Molecule

ID:135781

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₄
Molecular Mass
157.12408
Exact Mass
157.03750771
Charge
0
InChI
InChI=1S/C6H7NO4/c1-4(8)11-7-5(9)2-3-6(7)10/h2-3H2,1H3
InChIKey
SIFCHNIAAPMMKG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)ON1C(=O)CCC1=O
Isomeric Smiles
CC(=O)ON1C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
17.709993
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.8537603
LogD (pH = 7.4)
-0.8537603
Log P
-0.8537603
Molar Refractivity
33.1975
Polarizability
13.315926
Polar Surface Area
63.68
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
No Data Available
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Molecule Details
References
Bioactivity
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