Molecule

ID:6426

General Information

Structure

Molecular Formula

C₁₀H₉NS

Molecular Mass

175.25016

Exact Mass

175.04557029

Charge

0

InChI

InChI=1S/C10H9NS/c12-7-11-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3H2

InChIKey

DRZNKOAIZHUADV-UHFFFAOYSA-N

Canonic Smiles

S=C=Nc1ccc2c(c1)CCC2

Isomeric Smiles

C1CCc2cc(ccc12)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.002754

LogD (pH = 7.4)

4.0027566

Log P

4.0027566

Molar Refractivity

56.0021

Polarizability

20.695665

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