Molecule

ID:69031

General Information

Structure

Molecular Formula

C₆H₇FN₂

Molecular Mass

126.1315832

Exact Mass

126.05932645

Charge

0

InChI

InChI=1S/C6H7FN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)

InChIKey

WMGRXNKQEVOVET-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(n1)C)F

Isomeric Smiles

c1(ccc(c(n1)C)F)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.66643506

LogD (pH = 7.4)

0.7932874

Log P

0.79517704

Molar Refractivity

33.7229

Polarizability

12.034559

Polar Surface Area

38.91

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

Molecule Details

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References

Bioactivity