Molecule

ID:114955

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c11-9-7(6-4-2-1-3-5-6)8(10(14)15)12-13-9/h1-5H,(H,14,15)(H3,11,12,13)
InChIKey
NSSYNYUJSLLDSU-UHFFFAOYSA-N
Canonic Smiles
Nc1n[nH]c(c1c1ccccc1)C(=O)O
Isomeric Smiles
c1(c(c(n[nH]1)N)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2411323
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.41347808
LogD (pH = 7.4)
-2.0040536
Log P
1.2284535
Molar Refractivity
55.7195
Polarizability
21.557028
Polar Surface Area
92.0
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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