Molecule

ID:95139

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃NO
Molecular Mass
163.0972696
Exact Mass
163.02449841
Charge
0
InChI
InChI=1S/C6H4F3NO/c7-4-2-1-3-5(10-4)11-6(8)9/h1-3,6H
InChIKey
IACWJJQKDUBNHE-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cccc(n1)F)F
Isomeric Smiles
n1c(cccc1OC(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6557505
LogD (pH = 7.4)
2.6557505
Log P
2.6557505
Molar Refractivity
31.9178
Polarizability
11.493464
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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