Molecule

ID:8181

General Information
Structure
Molecular Formula
C₇H₄ClF₃
Molecular Mass
180.5548696
Exact Mass
179.99536247
Charge
0
InChI
InChI=1S/C7H4ClF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
InChIKey
JMXPOOVDUVHJRO-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(F)c(cc1F)F
Isomeric Smiles
c1(c(cc(c(c1)CCl)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9885938
LogD (pH = 7.4)
2.9885938
Log P
2.9885938
Molar Refractivity
36.5741
Polarizability
13.356671
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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