Molecule

ID:6833

General Information

Structure

MolImage

Molecular Formula

C₇H₃BrClNS

Molecular Mass

248.52742

Exact Mass

246.88580978

Charge

0

InChI

InChI=1S/C7H3BrClNS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

InChIKey

GVTFIGQDTWPFTA-UHFFFAOYSA-N

Canonic Smiles

S=C=Nc1ccc(cc1Cl)Br

Isomeric Smiles

c1(c(cc(cc1)Br)Cl)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.367868

LogD (pH = 7.4)

4.3678684

Log P

4.3678684

Molar Refractivity

55.5485

Polarizability

20.735804

Polar Surface Area

12.36

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity