Molecule

ID:69178

General Information

Structure

Molecular Formula

C₁₀H₉NO

Molecular Mass

159.18456

Exact Mass

159.06841391

Charge

0

InChI

InChI=1S/C10H9NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-7H,1H3

InChIKey

AQCRFDKOKZGTDE-UHFFFAOYSA-N

Canonic Smiles

COc1cnc2c(c1)cccc2

Isomeric Smiles

n1cc(cc2ccccc12)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.9620156

LogD (pH = 7.4)

1.973086

Log P

1.9732292

Molar Refractivity

46.4425

Polarizability

19.517538

Polar Surface Area

22.12

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