Molecule

ID:111264

General Information

Structure

MolImage

Molecular Formula

C₁₂H₈N₂O

Molecular Mass

196.20472

Exact Mass

196.06366289

Charge

0

InChI

InChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H

InChIKey

FFISWZPYNKWIRR-UHFFFAOYSA-N

Canonic Smiles

[O-][n+]1c2ccccc2nc2c1cccc2

Isomeric Smiles

[O-][n+]1c2ccccc2nc2c1cccc2

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

2.122374

LogD (pH = 7.4)

2.1223743

Log P

2.1223743

Molar Refractivity

57.2821

Polarizability

24.139977

Polar Surface Area

38.35

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

No Data Available

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Molecule Details

References

Bioactivity