Molecule

ID:71366

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClF₃NO
Molecular Mass
197.5423296
Exact Mass
196.98552606
Charge
0
InChI
InChI=1S/C6H3ClF3NO/c7-5-4(2-1-3-11-5)12-6(8,9)10/h1-3H
InChIKey
VJUMNUANNCTDHC-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cccnc1Cl)(F)F
Isomeric Smiles
c1(c(cccn1)OC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0108979
LogD (pH = 7.4)
3.0109067
Log P
3.010907
Molar Refractivity
32.8375
Polarizability
13.613433
Polar Surface Area
22.12
Rotatable Bonds
2
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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