Molecule
ID:51416
General Information
Molecular Formula
C₈H₆ClF₃
Molecular Mass
194.5814496
Exact Mass
194.01101253
Charge
0
InChI
InChI=1S/C8H6ClF3/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,8H,1H3
InChIKey
QXPQDJLUZSMPAQ-UHFFFAOYSA-N
Canonic Smiles
FC(c1c(Cl)ccc(c1F)C)F
Isomeric Smiles
c1(c(c(c(cc1)C)F)C(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6225019
LogD (pH = 7.4)
3.6225019
Log P
3.6225019
Molar Refractivity
41.2044
Polarizability
15.174157
Polar Surface Area
0.0
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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