Molecule

ID:11965

General Information

Structure

MolImage

Molecular Formula

C₄H₃F₇N₂

Molecular Mass

212.0688424

Exact Mass

212.01844565

Charge

0

InChI

InChI=1S/C4H3F7N2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H3,12,13)

InChIKey

HYMJOTOLJAHZCH-UHFFFAOYSA-N

Canonic Smiles

NC(=N)C(C(C(F)(F)F)(F)F)(F)F

Isomeric Smiles

C(C(C(C(=N)N)(F)F)(F)F)(F)(F)F

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

1.5729058

LogD (pH = 7.4)

1.5731508

Log P

1.573154

Molar Refractivity

37.4062

Polarizability

9.949345

Polar Surface Area

49.87

Rotatable Bonds

3

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