Molecule

ID:41561

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-14-10(13)9-11-8(12-15-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
PTGDVOKVOUFRCP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1onc(n1)c1ccccc1
Isomeric Smiles
n1c(onc1c1ccccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1988337
LogD (pH = 7.4)
2.1988337
Log P
2.1988337
Molar Refractivity
63.5877
Polarizability
20.187763
Polar Surface Area
65.22
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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