Molecule

ID:121406

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₂
Molecular Mass
177.16008
Exact Mass
177.05382648
Charge
0
InChI
InChI=1S/C8H7N3O2/c9-11-7(12)5-3-1-2-4-6(5)10-8(11)13/h1-4H,9H2,(H,10,13)
InChIKey
NMGODFWGUBLTTA-UHFFFAOYSA-N
Canonic Smiles
Nn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)N
Calculated Properties
JChem
Acid pKa
10.944318
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1003978
LogD (pH = 7.4)
1.1003531
Log P
1.1004719
Molar Refractivity
48.2602
Polarizability
16.949663
Polar Surface Area
75.43
Rotatable Bonds
0
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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