Molecule

ID:66120

General Information

Structure

MolImage

Molecular Formula

C₇H₇F₂N

Molecular Mass

143.1339864

Exact Mass

143.05465567

Charge

0

InChI

InChI=1S/C7H7F2N/c1-7(8,9)6-2-4-10-5-3-6/h2-5H,1H3

InChIKey

IEUYVLHLIXKLHF-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccncc1)(F)F

Isomeric Smiles

c1cc(ccn1)C(C)(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.306009

LogD (pH = 7.4)

1.3914864

Log P

1.3927242

Molar Refractivity

34.0069

Polarizability

12.593301

Polar Surface Area

12.89

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