Molecule

ID:7992

General Information

Structure

Molecular Formula

C₈H₆ClNS

Molecular Mass

183.65794

Exact Mass

182.99094788

Charge

0

InChI

InChI=1S/C8H6ClNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2

InChIKey

GGNLZOLEJMSOKU-UHFFFAOYSA-N

Canonic Smiles

S=C=NCc1cccc(c1)Cl

Isomeric Smiles

c1ccc(cc1CN=C=S)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.3981678

LogD (pH = 7.4)

3.3981678

Log P

3.3981678

Molar Refractivity

50.7465

Polarizability

19.743616

Polar Surface Area

12.36

Rotatable Bonds

2

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