Molecule

ID:94530

General Information

Structure

Molecular Formula

C₃ClF₇

Molecular Mass

204.4739224

Exact Mass

203.95767522

Charge

0

InChI

InChI=1S/C3ClF7/c4-1(5,2(6,7)8)3(9,10)11

InChIKey

KJGXPVLCSICDQG-UHFFFAOYSA-N

Canonic Smiles

FC(C(F)(F)F)(C(F)(F)F)Cl

Isomeric Smiles

FC(F)(C(C(F)(F)F)(F)Cl)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.2157874

LogD (pH = 7.4)

3.2157874

Log P

3.2157874

Molar Refractivity

22.4557

Polarizability

8.434164

Polar Surface Area

0.0

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity