Molecule

ID:103111

General Information

Structure

MolImage

Molecular Formula

C₁₃H₈ClOS

Molecular Mass

247.72002

Exact Mass

246.99843856

Charge

0

InChI

InChI=1S/C13H8ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,15H

InChIKey

LMHDGPCSLWSWKM-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2=[S]c3c(C(=c2c1)O)cccc3

Isomeric Smiles

OC1=c2cc(Cl)ccc2=[S]c2ccccc12

Calculated Properties

JChem

Acid pKa

5.6934977

H Acceptors

0

H Donor

0

Molar Refractivity

70.9414

Polar Surface Area

20.23

Rotatable Bonds

0

Lipinski's Rule of Five

false

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