Molecule

ID:34276

General Information

Structure

MolImage

Molecular Formula

C₈H₁₀ClNS

Molecular Mass

187.6897

Exact Mass

187.02224801

Charge

0

InChI

InChI=1S/C8H10ClNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2

InChIKey

DRRBWTYKNMYIMG-UHFFFAOYSA-N

Canonic Smiles

NCCSc1ccc(cc1)Cl

Isomeric Smiles

S(c1ccc(cc1)Cl)CCN

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.84018606

LogD (pH = 7.4)

0.08989782

Log P

2.1488383

Molar Refractivity

51.7747

Polarizability

20.439436

Polar Surface Area

26.02

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