Molecule

ID:40166

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3
InChIKey
VFPWJISMXACHIG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)nccn2
Isomeric Smiles
C(=O)(c1cc2nccnc2cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3025408
LogD (pH = 7.4)
1.3025552
Log P
1.3025553
Molar Refractivity
49.4757
Polarizability
20.47557
Polar Surface Area
52.08
Rotatable Bonds
2
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
Molecule Details
References
Bioactivity
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