Molecule

ID:78786

General Information

Structure

Molecular Formula

C₂H₅ClN₄

Molecular Mass

120.5409

Exact Mass

120.02027386

Charge

0

InChI

InChI=1S/C2H4N4.ClH/c3-6-1-4-5-2-6;/h1-2H,3H2;1H

InChIKey

BSMKWRYLGIMNSN-UHFFFAOYSA-N

Canonic Smiles

Nn1cnnc1.Cl

Isomeric Smiles

n1(cnnc1)N.Cl

Calculated Properties

JChem

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.0713735

LogD (pH = 7.4)

-2.0712762

Log P

-2.071275

Molar Refractivity

25.1238

Polarizability

7.4687333

Polar Surface Area

56.73

Rotatable Bonds

0

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