Molecule
ID:96875
General Information
Molecular Formula
C₇H₃F₃O₂
Molecular Mass
176.0927296
Exact Mass
176.008514
Charge
0
InChI
InChI=1S/C7H3F3O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H
InChIKey
SNHQSYSJSWODIQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)OC(O2)(F)F
Isomeric Smiles
O1c2c(ccc(c2)F)OC1(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1319256
LogD (pH = 7.4)
3.1319256
Log P
3.1319256
Molar Refractivity
30.1112
Polarizability
12.366792
Polar Surface Area
18.46
Rotatable Bonds
0
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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