Molecule

ID:21096

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₂N₂O₃

Molecular Mass

208.21388

Exact Mass

208.08479225

Charge

0

InChI

InChI=1S/C10H12N2O3/c13-12(14)8-2-1-3-9(6-8)15-10-4-5-11-7-10/h1-3,6,10-11H,4-5,7H2

InChIKey

SRLOKZSYXKQYDZ-UHFFFAOYSA-N

Canonic Smiles

[O-][N+](=O)c1cccc(c1)OC1CNCC1

Isomeric Smiles

[N+](=O)(c1cc(OC2CCNC2)ccc1)[O-]

Calculated Properties

JChem

H Acceptors

4

H Donor

1

LogD (pH = 5.5)

-1.8899555

LogD (pH = 7.4)

-1.376887

Log P

1.3393571

Molar Refractivity

55.1369

Polarizability

21.053646

Polar Surface Area

67.08

Rotatable Bonds

3

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