Molecule

ID:108162

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₄
Molecular Mass
156.09626
Exact Mass
156.01710662
Charge
0
InChI
InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChIKey
ZEVWQFWTGHFIDH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]cnc1C(=O)O
Isomeric Smiles
OC(=O)c1c(nc[nH]1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5453043
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.2870097
LogD (pH = 7.4)
-5.8812556
Log P
-0.89193296
Molar Refractivity
33.0307
Polarizability
12.147953
Polar Surface Area
103.28
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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