Molecule

ID:14864

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c1-3-4(5(10)11)2-8-6(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)
InChIKey
DUWNUQBBVGEJPV-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(n1)C)C(=O)O
Isomeric Smiles
c1(c(nc(nc1)N)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.998079
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.0794463
LogD (pH = 7.4)
-3.6012473
Log P
-0.7434117
Molar Refractivity
39.2164
Polarizability
13.88397
Polar Surface Area
89.1
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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