Molecule

ID:32018

General Information
Structure
Molecular Formula
C₉H₇Cl₂F₃
Molecular Mass
243.0530896
Exact Mass
241.98769024
Charge
0
InChI
InChI=1S/C9H7Cl2F3/c10-7-2-1-3-8(11)6(7)4-5-9(12,13)14/h1-3H,4-5H2
InChIKey
XITDEMGBNBNGIE-UHFFFAOYSA-N
Canonic Smiles
FC(CCc1c(Cl)cccc1Cl)(F)F
Isomeric Smiles
c1(c(c(ccc1)Cl)CCC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7740555
LogD (pH = 7.4)
4.7740555
Log P
4.7740555
Molar Refractivity
50.6941
Polarizability
18.996174
Polar Surface Area
0.0
Rotatable Bonds
3
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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