Molecule

ID:111900

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₀N₂O₂

Molecular Mass

238.2414

Exact Mass

238.07422757

Charge

0

InChI

InChI=1S/C14H10N2O2/c15-13-9-5-1-3-7-11(9)14(16(17)18)12-8-4-2-6-10(12)13/h1-8H,15H2

InChIKey

JYYCIMOUZMLUTP-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)N

Isomeric Smiles

Nc1c2ccccc2c(c2c1cccc2)[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

18.15819

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

3.0632522

LogD (pH = 7.4)

3.0632575

Log P

3.0632575

Molar Refractivity

70.9835

Polarizability

28.411806

Polar Surface Area

71.84

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

References

Bioactivity