Molecule

ID:87357

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c14-11(15)8-4-3-7-13-10(8)9-5-1-2-6-12-9/h1-7H,(H,14,15)
InChIKey
OQVVVVYHNKQXHR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccnc1c1ccccn1
Isomeric Smiles
n1c(cccc1)c1c(cccn1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6978612
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.22751863
LogD (pH = 7.4)
-1.7082689
Log P
1.4289447
Molar Refractivity
53.3926
Polarizability
21.81734
Polar Surface Area
63.08
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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