Molecule

ID:68119

General Information

Structure

MolImage

Molecular Formula

C₁₀H₉NO₃

Molecular Mass

191.18336

Exact Mass

191.05824315

Charge

0

InChI

InChI=1S/C10H9NO3/c1-14-6-2-3-8-7(4-6)9(12)5-10(13)11-8/h2-5H,1H3,(H2,11,12,13)

InChIKey

HBHIHNYMVBNMOI-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)c(O)cc(n2)O

Isomeric Smiles

n1c(cc(c2cc(ccc12)OC)O)O

Calculated Properties

JChem

Acid pKa

6.7410583

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

1.93674

LogD (pH = 7.4)

1.2488917

Log P

1.9605561

Molar Refractivity

50.7178

Polarizability

20.66308

Polar Surface Area

62.58

Rotatable Bonds

1

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