Molecule

ID:92893

General Information

Structure

MolImage

Molecular Formula

C₆H₈ClIN₂

Molecular Mass

270.49859

Exact Mass

269.94207395

Charge

0

InChI

InChI=1S/C6H7IN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H

InChIKey

PBGQZFXOUDOZCB-UHFFFAOYSA-N

Canonic Smiles

NNc1ccc(cc1)I.Cl

Isomeric Smiles

N(c1ccc(cc1)I)N.Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

2.0833714

LogD (pH = 7.4)

2.2904356

Log P

2.293833

Molar Refractivity

49.1272

Polarizability

18.049622

Polar Surface Area

38.05

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