Molecule

ID:6765

General Information
Structure
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Molecular Formula
C₇H₃F₅O
Molecular Mass
198.090136
Exact Mass
198.01040582
Charge
0
InChI
InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey
ZRQUIRABLIQJRI-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5290842
LogD (pH = 7.4)
2.5290842
Log P
2.5290842
Molar Refractivity
33.6032
Polarizability
12.117694
Polar Surface Area
9.23
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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