Molecule
ID:50669
General Information
Molecular Formula
C₆H₄F₃NO
Molecular Mass
163.0972696
Exact Mass
163.02449841
Charge
0
InChI
InChI=1S/C6H4F3NO/c1-11-6-4(8)2-3(7)5(9)10-6/h2H,1H3
InChIKey
MAUUGQYTCDMGIF-UHFFFAOYSA-N
Canonic Smiles
COc1nc(F)c(cc1F)F
Isomeric Smiles
c1(c(cc(c(n1)F)F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0143962
LogD (pH = 7.4)
2.0143962
Log P
2.0143962
Molar Refractivity
32.3417
Polarizability
11.436539
Polar Surface Area
22.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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