Molecule

ID:65250

General Information

Structure

MolImage

Molecular Formula

C₃H₈BrNS

Molecular Mass

170.07132

Exact Mass

168.95608226

Charge

0

InChI

InChI=1S/C3H7NS.BrH/c4-3-1-5-2-3;/h3H,1-2,4H2;1H

InChIKey

RRWLNHQBDHXNIG-UHFFFAOYSA-N

Canonic Smiles

NC1CSC1.Br

Isomeric Smiles

C1C(CS1)N.Br

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-3.190497

LogD (pH = 7.4)

-2.2361505

Log P

-0.20453303

Molar Refractivity

24.9491

Polarizability

10.11577

Polar Surface Area

26.02

Rotatable Bonds

0

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