Molecule

ID:99413

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃
Molecular Mass
180.5548696
Exact Mass
179.99536247
Charge
0
InChI
InChI=1S/C7H4ClF3/c8-7(10,11)5-3-1-2-4-6(5)9/h1-4H
InChIKey
MAPGNFOESSJGBG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C(Cl)(F)F
Isomeric Smiles
FC(c1c(cccc1)F)(F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2004828
LogD (pH = 7.4)
3.2004828
Log P
3.2004828
Molar Refractivity
37.0829
Polarizability
13.429146
Polar Surface Area
0.0
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
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