Molecule

ID:34330

General Information

Structure

MolImage

Molecular Formula

C₁₀H₇NO

Molecular Mass

157.16868

Exact Mass

157.05276385

Charge

0

InChI

InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H

InChIKey

WINWAFCAQPFBQA-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc2c(c1)nccc2

Isomeric Smiles

c1c(cc2c(c1)cccn2)C=O

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.8424168

LogD (pH = 7.4)

1.8433903

Log P

1.8434029

Molar Refractivity

46.5633

Polarizability

18.886436

Polar Surface Area

29.96

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