Molecule

ID:73443

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂O
Molecular Mass
160.17262
Exact Mass
160.06366289
Charge
0
InChI
InChI=1S/C9H8N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
VRRLZUXQTZOCKJ-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1ccccc1
Isomeric Smiles
n1c(onc1c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3569791
LogD (pH = 7.4)
2.3569791
Log P
2.3569791
Molar Refractivity
56.5259
Polarizability
17.473063
Polar Surface Area
38.92
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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