Molecule

ID:78552

General Information

Structure

Molecular Formula

C₁₃H₁₀ClNO

Molecular Mass

231.6776

Exact Mass

231.04509163

Charge

0

InChI

InChI=1S/C13H10ClNO/c14-12-7-6-10(15)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,15H2

InChIKey

KZJVQORHPPEMBG-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)C(=O)c1ccccc1)Cl

Isomeric Smiles

O=C(c1ccccc1)c1c(ccc(c1)N)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

3.2070606

LogD (pH = 7.4)

3.2077093

Log P

3.2077177

Molar Refractivity

66.1387

Polarizability

24.982143

Polar Surface Area

43.09

Rotatable Bonds

2

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