Molecule

ID:9188

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃O
Molecular Mass
196.5542696
Exact Mass
195.99027709
Charge
0
InChI
InChI=1S/C7H4ClF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey
SELFZOLQRDPBKC-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)Cl)(F)F
Isomeric Smiles
c1c(ccc(c1)Cl)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.008402
LogD (pH = 7.4)
4.008402
Log P
4.008402
Molar Refractivity
33.9331
Polarizability
14.280955
Polar Surface Area
9.23
Rotatable Bonds
2
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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