Molecule

ID:10392

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₆N
Molecular Mass
215.0958392
Exact Mass
215.01696842
Charge
0
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h1-3H
InChIKey
RQEOYYWUVYZZLL-UHFFFAOYSA-N
Canonic Smiles
FC(c1cncc(c1)C(F)(F)F)(F)F
Isomeric Smiles
c1(cncc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5097113
LogD (pH = 7.4)
2.5112507
Log P
2.5112703
Molar Refractivity
35.8485
Polarizability
12.502108
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
References
Bioactivity
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