Molecule

ID:101719

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇N₃O₃
Molecular Mass
217.18088
Exact Mass
217.0487411
Charge
0
InChI
InChI=1S/C10H7N3O3/c14-9(15)7-5-12-10(16)13-8(7)6-2-1-3-11-4-6/h1-5H,(H,14,15)(H,12,13,16)
InChIKey
DSLRGJVTKZHFOY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c[nH]c(=O)nc1c1cccnc1
Isomeric Smiles
c1(c(nc(=O)[nH]c1)c1cnccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6936061
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.6411612
LogD (pH = 7.4)
-3.8066523
Log P
-1.400062
Molar Refractivity
53.7387
Polarizability
20.198214
Polar Surface Area
91.65
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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