Molecule

ID:71022

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)7-3-2-4-8-9(7)12-6-5-11-8/h2-6H,1H3
InChIKey
LCDDKBKKXKEGPK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1nccn2
Isomeric Smiles
n1ccnc2c(cccc12)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3025497
LogD (pH = 7.4)
1.3025553
Log P
1.3025553
Molar Refractivity
49.4757
Polarizability
20.480408
Polar Surface Area
52.08
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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