Molecule

ID:65638

General Information

Structure

Molecular Formula

C₈H₁₁NO₃

Molecular Mass

169.17784

Exact Mass

169.07389322

Charge

0

InChI

InChI=1S/C8H11NO3/c1-10-6-4-5-7(11-2)9-8(6)12-3/h4-5H,1-3H3

InChIKey

FIDKPTFJOFOUTP-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(n1)OC)OC

Isomeric Smiles

c1c(nc(c(c1)OC)OC)OC

Calculated Properties

JChem

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

1.4714504

LogD (pH = 7.4)

1.4714743

Log P

1.4714746

Molar Refractivity

43.9177

Polarizability

17.025688

Polar Surface Area

40.58

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