Molecule

ID:29779

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₆N
Molecular Mass
249.5408992
Exact Mass
248.97799607
Charge
0
InChI
InChI=1S/C7H2ClF6N/c8-5-1-3(6(9,10)11)4(2-15-5)7(12,13)14/h1-2H
InChIKey
GBZFIEBGHKCVEA-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(cc(c(cn1)C(F)(F)F)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3354914
LogD (pH = 7.4)
3.3354921
Log P
3.3354921
Molar Refractivity
41.7146
Polarizability
14.570617
Polar Surface Area
12.89
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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