Molecule

ID:9742

General Information

Structure

Molecular Formula

C₈H₇NS

Molecular Mass

149.21288

Exact Mass

149.02992023

Charge

0

InChI

InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

InChIKey

BDPQUWSFKCFOST-UHFFFAOYSA-N

Canonic Smiles

S=C=Nc1cccc(c1)C

Isomeric Smiles

c1cc(cc(c1)N=C=S)C

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.5084908

LogD (pH = 7.4)

3.5084925

Log P

3.5084925

Molar Refractivity

48.1621

Polarizability

17.827967

Polar Surface Area

12.36

Rotatable Bonds

1

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