Molecule

ID:125551

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₀S₂

Molecular Mass

242.3592

Exact Mass

242.02239232

Charge

0

InChI

InChI=1S/C14H10S2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H

InChIKey

QHWTVIYSEHVEKU-UHFFFAOYSA-N

Canonic Smiles

Sc1c2ccccc2c(c2c1cccc2)S

Isomeric Smiles

Sc1c2c(cccc2)c(S)c2ccccc12

Calculated Properties

JChem

Acid pKa

6.294029

H Acceptors

0

H Donor

2

LogD (pH = 5.5)

4.07553

LogD (pH = 7.4)

2.8338845

Log P

4.1386137

Molar Refractivity

74.978

Polarizability

31.69801

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity