Molecule

ID:32929

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃
Molecular Mass
180.5548696
Exact Mass
179.99536247
Charge
0
InChI
InChI=1S/C7H4ClF3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChIKey
PFBUYSAQGBJZMH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)C(F)F
Isomeric Smiles
c1(c(cc(cc1)F)Cl)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1090803
LogD (pH = 7.4)
3.1090803
Log P
3.1090803
Molar Refractivity
36.1632
Polarizability
13.460317
Polar Surface Area
0.0
Rotatable Bonds
1
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
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References
Bioactivity
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