Molecule

ID:95028

General Information

Structure

Molecular Formula

C₇H₇ClFN

Molecular Mass

159.5885832

Exact Mass

159.02510513

Charge

0

InChI

InChI=1S/C7H7ClFN/c1-4-6(8)2-5(9)3-7(4)10/h2-3H,10H2,1H3

InChIKey

WAPXWUPJSPGPSS-UHFFFAOYSA-N

Canonic Smiles

Fc1cc(N)c(c(c1)Cl)C

Isomeric Smiles

Nc1c(c(cc(c1)F)Cl)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.404229

LogD (pH = 7.4)

2.4044845

Log P

2.4044878

Molar Refractivity

40.8208

Polarizability

14.8185

Polar Surface Area

26.02

Rotatable Bonds

0

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