Molecule

ID:90877

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-9-5-3-4(6(10)11)1-2-8-5/h1-3H,7H2,(H,8,9)(H,10,11)
InChIKey
PWRFHRBNLUGPHN-UHFFFAOYSA-N
Canonic Smiles
NNc1nccc(c1)C(=O)O
Isomeric Smiles
n1c(cc(cc1)C(=O)O)NN
Calculated Properties
JChem
Acid pKa
3.7112246
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.2052757
LogD (pH = 7.4)
-2.1702652
Log P
-1.1690991
Molar Refractivity
41.1775
Polarizability
14.390813
Polar Surface Area
88.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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