Molecule

ID:85271

General Information

Structure

Molecular Formula

C₁₃H₈O₃

Molecular Mass

212.20082

Exact Mass

212.04734412

Charge

0

InChI

InChI=1S/C13H8O3/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,14H

InChIKey

WSACHQJPCNOREV-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)c(=O)c1c(o2)cccc1

Isomeric Smiles

o1c2ccccc2c(=O)c2c1ccc(c2)O

Calculated Properties

JChem

Acid pKa

9.111798

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.6559694

LogD (pH = 7.4)

2.6477747

Log P

2.656075

Molar Refractivity

58.7972

Polarizability

22.582348

Polar Surface Area

46.53

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

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