Molecule

ID:32024

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClF₄
Molecular Mass
226.5984928
Exact Mass
226.01724078
Charge
0
InChI
InChI=1S/C9H7ClF4/c1-5-2-3-7(11)6(8(5)10)4-9(12,13)14/h2-3H,4H2,1H3
InChIKey
YJJCALRLWYAPDH-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1CC(F)(F)F)Cl)C
Isomeric Smiles
c1(c(c(c(cc1)F)CC(F)(F)F)Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3815656
LogD (pH = 7.4)
4.3815656
Log P
4.3815656
Molar Refractivity
46.5459
Polarizability
16.830725
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
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References
Bioactivity
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