Molecule

ID:113954

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₃
Molecular Mass
204.18212
Exact Mass
204.05349213
Charge
0
InChI
InChI=1S/C10H8N2O3/c11-8(13)5-12-7-4-2-1-3-6(7)9(14)10(12)15/h1-4H,5H2,(H2,11,13)
InChIKey
PFDMWGKCXRICRV-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1c2ccccc2C(=O)C1=O
Isomeric Smiles
N1(C(=O)C(=O)c2c1cccc2)CC(=O)N
Calculated Properties
JChem
Acid pKa
15.0117035
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.51334965
LogD (pH = 7.4)
-0.51334965
Log P
-0.51334965
Molar Refractivity
51.4977
Polarizability
19.484222
Polar Surface Area
80.47
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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