Molecule

ID:33601

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c1-2-3-6-4(5(8)9)10-7-3/h2H2,1H3,(H,8,9)
InChIKey
KVNQOXNACAXNTO-UHFFFAOYSA-N
Canonic Smiles
CCc1noc(n1)C(=O)O
Isomeric Smiles
c1(nc(no1)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
2.5271804
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9584492
LogD (pH = 7.4)
-2.6477444
Log P
0.9210977
Molar Refractivity
32.6588
Polarizability
11.63036
Polar Surface Area
76.22
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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