Molecule

ID:41519

General Information

Structure

Molecular Formula

C₁₁H₇FN₂O₂

Molecular Mass

218.1838832

Exact Mass

218.04915569

Charge

0

InChI

InChI=1S/C11H7FN2O2/c12-9-5-3-8(4-6-9)11-10(14(15)16)2-1-7-13-11/h1-7H

InChIKey

WOFJRVBRBNYZFI-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)c1ncccc1[N+](=O)[O-]

Isomeric Smiles

c1cnc(c(c1)[N+](=O)[O-])c1ccc(cc1)F

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

2.871315

LogD (pH = 7.4)

2.871335

Log P

2.8713353

Molar Refractivity

56.2064

Polarizability

21.90787

Polar Surface Area

58.71

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