Molecule

ID:41539

General Information

Structure

Molecular Formula

C₁₁H₆FNS

Molecular Mass

203.2354432

Exact Mass

203.02049842

Charge

0

InChI

InChI=1S/C11H6FNS/c12-11-5-8(1-2-9(11)6-13)10-3-4-14-7-10/h1-5,7H

InChIKey

KDGWQDPBKBHHGI-UHFFFAOYSA-N

Canonic Smiles

N#Cc1ccc(cc1F)c1cscc1

Isomeric Smiles

c1cscc1c1cc(c(cc1)C#N)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.3997114

LogD (pH = 7.4)

3.3997114

Log P

3.3997114

Molar Refractivity

54.238

Polarizability

21.402431

Polar Surface Area

23.79

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