Molecule
ID:32138
General Information
Molecular Formula
C₉H₇F₅
Molecular Mass
210.143896
Exact Mass
210.04679132
Charge
0
InChI
InChI=1S/C9H7F5/c1-2-9(13,14)7-5(10)3-4-6(11)8(7)12/h3-4H,2H2,1H3
InChIKey
UILUWLWARMAWEK-UHFFFAOYSA-N
Canonic Smiles
CCC(c1c(F)ccc(c1F)F)(F)F
Isomeric Smiles
FC(F)(c1c(F)c(ccc1F)F)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6753755
LogD (pH = 7.4)
3.6753755
Log P
3.6753755
Molar Refractivity
41.2818
Polarizability
14.83429
Polar Surface Area
0.0
Rotatable Bonds
2
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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