Molecule

ID:60398

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-9-5-2-1-4(3-8-5)6(10)11/h1-3H,7H2,(H,8,9)(H,10,11)
InChIKey
HBBSDZXXUIHKJE-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cn1)C(=O)O
Isomeric Smiles
c1(C(=O)O)cnc(NN)cc1
Calculated Properties
JChem
Acid pKa
1.7963375
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.3214284
LogD (pH = 7.4)
-1.3724318
Log P
-1.3224092
Molar Refractivity
41.1775
Polarizability
14.389999
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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