Molecule

ID:67296

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c7-9-6(11)4-1-2-5(10)8-3-4/h1-3H,7H2,(H,8,10)(H,9,11)
InChIKey
CWZHFIGWRBBYJC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(=O)[nH]c1
Isomeric Smiles
c1c(ccc(=O)[nH]1)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.577928
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.6526579
LogD (pH = 7.4)
-1.6517724
Log P
-1.6515025
Molar Refractivity
40.3508
Polarizability
14.480617
Polar Surface Area
84.22
Rotatable Bonds
1
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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