Molecule

ID:79157

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChIKey
SKTSVWWOAIAIKI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccco1
Isomeric Smiles
o1c(ccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.048526
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.41283524
LogD (pH = 7.4)
-0.41235778
Log P
-0.41234294
Molar Refractivity
32.0114
Polarizability
11.54182
Polar Surface Area
68.26
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
No Data Available
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Molecule Details
References
Bioactivity
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