Molecule

ID:112783

General Information

Structure

MolImage

Molecular Formula

C₂H₇ClCrN₂

Molecular Mass

146.53948

Exact Mass

145.97028341

Charge

0

InChI

InChI=1S/C2H7ClN2.Cr/c3-2(5)1-4;/h2H,1,4-5H2;

InChIKey

FQSOUJVKPZHDAI-UHFFFAOYSA-N

Canonic Smiles

NCC(Cl)N.[Cr]

Isomeric Smiles

[Cr].NCC(N)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-3.1987908

LogD (pH = 7.4)

-1.5336381

Log P

-0.59290856

Molar Refractivity

22.4361

Polarizability

9.313944

Polar Surface Area

52.04

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity