Molecule

ID:79979

General Information
Structure
Molecular Formula
C₁₂H₈N₂O₂
Molecular Mass
212.20412
Exact Mass
212.05857751
Charge
0
InChI
InChI=1S/C12H8N2O2/c13-14-11(15)8-5-1-3-7-4-2-6-9(10(7)8)12(14)16/h1-6H,13H2
InChIKey
HXJBFRDWVHNPAS-UHFFFAOYSA-N
Canonic Smiles
Nn1c(=O)c2cccc3c2c(c1=O)ccc3
Isomeric Smiles
n1(c(=O)c2c3c(cccc3ccc2)c1=O)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.386338
LogD (pH = 7.4)
1.386423
Log P
1.3864241
Molar Refractivity
60.2491
Polarizability
23.057463
Polar Surface Area
63.4
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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