Molecule

ID:110722

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₀N₂O₂

Molecular Mass

202.2093

Exact Mass

202.07422757

Charge

0

InChI

InChI=1S/C11H10N2O2/c1-8(13(14)15)6-9-7-12-11-5-3-2-4-10(9)11/h2-7,12H,1H3

InChIKey

BPAQTDYDNBMYAM-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)/C(=C/c1c[nH]c2c1cccc2)/C

Isomeric Smiles

C/C(=C\c1c[nH]c2c1cccc2)/[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

15.714044

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.2984493

LogD (pH = 7.4)

2.2984493

Log P

2.2984493

Molar Refractivity

58.9539

Polarizability

22.79029

Polar Surface Area

61.61

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

No Data Available

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Molecule Details

References

Bioactivity