Molecule

ID:121212

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c1-15-8-3-2-7(6-11-8)12-9(13)4-5-10(12)14/h2-6H,1H3
InChIKey
JEWYUJMNFZCRKA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cn1)N1C(=O)C=CC1=O
Isomeric Smiles
N1(C(=O)C=CC1=O)c1cnc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.4647797
LogD (pH = 7.4)
0.46484458
Log P
0.46484542
Molar Refractivity
52.6455
Polarizability
19.669058
Polar Surface Area
59.5
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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