Molecule

ID:64764

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-4(9)3-1-6-5(10)7-2-3/h1-2H,(H,8,9)(H,6,7,10)
InChIKey
CRCVTNHORFBTSX-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc(cn1)C(=O)O
Isomeric Smiles
n1c(ncc(c1)C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.8589318
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.5627631
LogD (pH = 7.4)
-3.1517856
Log P
0.08253907
Molar Refractivity
31.9054
Polarizability
11.671762
Polar Surface Area
83.31
Rotatable Bonds
1
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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