Molecule

ID:44534

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₃
Molecular Mass
216.19282
Exact Mass
216.05349213
Charge
0
InChI
InChI=1S/C11H8N2O3/c14-10-7(11(15)16)4-5-9(13-10)8-3-1-2-6-12-8/h1-6H,(H,13,14)(H,15,16)
InChIKey
YFLVHZXQLBWLKU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc([nH]c1=O)c1ccccn1
Isomeric Smiles
c1(c(=O)[nH]c(cc1)c1ncccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4274263
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8513237
LogD (pH = 7.4)
-3.2777429
Log P
-0.77883387
Molar Refractivity
57.2738
Polarizability
21.103682
Polar Surface Area
79.29
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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