Molecule

ID:10282

General Information

Structure

Molecular Formula

C₉H₆N₂O₃

Molecular Mass

190.15554

Exact Mass

190.03784206

Charge

0

InChI

InChI=1S/C9H6N2O3/c12-11(13)8-3-1-2-7(6-8)9-4-5-10-14-9/h1-6H

InChIKey

RGDHTIOOORKVRQ-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cccc(c1)c1ccno1

Isomeric Smiles

c1cc(on1)c1cc(ccc1)[N+](=O)[O-]

Calculated Properties

JChem

H Acceptors

3

H Donor

0

LogD (pH = 5.5)

1.8449998

LogD (pH = 7.4)

1.8450018

Log P

1.8450019

Molar Refractivity

49.8384

Polarizability

19.135382

Polar Surface Area

71.85

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity