Molecule

ID:65378

General Information

Structure

MolImage

Molecular Formula

C₅H₇ClOS

Molecular Mass

150.62648

Exact Mass

149.99061352

Charge

0

InChI

InChI=1S/C5H7ClOS/c1-4(6)3-8-5(2)7/h1,3H2,2H3

InChIKey

YJNWQXNLWIKNIM-UHFFFAOYSA-N

Canonic Smiles

ClC(=C)CSC(=O)C

Isomeric Smiles

O=C(C)SCC(=C)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.3855053

LogD (pH = 7.4)

1.3855053

Log P

1.3855053

Molar Refractivity

37.7906

Polarizability

14.729118

Polar Surface Area

17.07

Rotatable Bonds

3

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