Molecule

ID:100689

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₇
Molecular Mass
230.5112024
Exact Mass
229.97332528
Charge
0
InChI
InChI=1S/C5H2ClF7/c1-2(6)3(7,8)4(9,10)5(11,12)13/h1H2
InChIKey
FISQXYDFCVEFII-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(=C)Cl)(C(F)(F)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4959195
LogD (pH = 7.4)
3.4959195
Log P
3.4959195
Molar Refractivity
30.634
Polarizability
11.385736
Polar Surface Area
0.0
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
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