Molecule

ID:15794

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₄
Molecular Mass
145.11338
Exact Mass
145.03750771
Charge
0
InChI
InChI=1S/C5H7NO4/c7-4(8)3-6-1-2-10-5(6)9/h1-3H2,(H,7,8)
InChIKey
VJVCFQBYLWXKHP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCOC1=O
Isomeric Smiles
N1(CC(=O)O)C(=O)OCC1
Calculated Properties
JChem
Acid pKa
3.450655
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.696247
LogD (pH = 7.4)
-4.0467305
Log P
-0.6571867
Molar Refractivity
29.9985
Polarizability
11.886357
Polar Surface Area
66.84
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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