Molecule

ID:16124

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O₂
Molecular Mass
203.19736
Exact Mass
203.06947654
Charge
0
InChI
InChI=1S/C10H9N3O2/c14-10(15)7-13-6-9(11-12-13)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)
InChIKey
SRXSKSFFMPPQEU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nnc(c1)c1ccccc1
Isomeric Smiles
n1nc(cn1CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.963956
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.012865376
LogD (pH = 7.4)
-1.6481098
Log P
1.531289
Molar Refractivity
64.1672
Polarizability
21.4047
Polar Surface Area
68.01
Rotatable Bonds
3
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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