Molecule

ID:114290

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O
Molecular Mass
187.19796
Exact Mass
187.07456192
Charge
0
InChI
InChI=1S/C10H9N3O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-6H,11H2,(H,13,14)
InChIKey
GOAZSGLSVJVOLX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccc(=O)[nH]n1
Isomeric Smiles
n1[nH]c(=O)ccc1c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
10.345881
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.52597576
LogD (pH = 7.4)
0.5304581
Log P
0.5309566
Molar Refractivity
55.4038
Polarizability
19.78669
Polar Surface Area
67.48
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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