Molecule

ID:53395

General Information
Structure
Molecular Formula
C₇H₃Cl₂F₃O
Molecular Mass
230.9993296
Exact Mass
229.95130474
Charge
0
InChI
InChI=1S/C7H3Cl2F3O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
InChIKey
RIVHTVHBEUJLSP-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1c(Cl)cccc1Cl)(F)F
Isomeric Smiles
c1(c(cccc1Cl)Cl)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.612447
LogD (pH = 7.4)
4.612447
Log P
4.612447
Molar Refractivity
38.7379
Polarizability
16.33789
Polar Surface Area
9.23
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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